N-[2-(dimethylamino)ethyl]-3-fluoro-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxamide;bis(N',N'-dimethylethane-1,2-diamine);3-fluoro-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxylic acid;5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxylic acid

C100H90F6N28O6 — CID 158105406

IUPACN-[2-(dimethylamino)ethyl]-3-fluoro-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxamide;bis(N',N'-dimethylethane-1,2-diamine);3-fluoro-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxylic acid;5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxylic acid
SMILESCN(C)CCN.CN(C)CCN.CN(C)CCNC(=O)c1ccc(-c2c(F)cnc3[nH]c4cnc(-c5cccnc5)cc4c23)cn1.CN(C)CCNC(=O)c1ncc(-c2c(F)cnc3[nH]c4cnc(-c5cccnc5)cc4c23)cc1F.O=C(O)c1ccc(-c2c(F)cnc3[nH]c4cnc(-c5cccnc5)cc4c23)cn1.O=C(O)c1ncc(-c2c(F)cnc3[nH]c4cnc(-c5cccnc5)cc4c23)cc1F
InChIInChI=1S/C25H21F2N7O.C25H22FN7O.C21H11F2N5O2.C21H12FN5O2.2C4H12N2/c1-34(2)7-6-29-25(35)23-17(26)8-15(11-31-23)21-18(27)12-32-24-22(21)16-9-19(30-13-20(16)33-24)14-4-3-5-28-10-14;1-33(2)9-8-28-25(34)19-6-5-16(12-29-19)22-18(26)13-31-24-23(22)17-10-20(30-14-21(17)32-24)15-4-3-7-27-11-15;22-13-4-11(7-26-19(13)21(29)30)17-14(23)8-27-20-18(17)12-5-15(25-9-16(12)28-20)10-2-1-3-24-6-10;22-14-9-26-20-19(18(14)12-3-4-15(21(28)29)24-8-12)13-6-16(25-10-17(13)27-20)11-2-1-5-23-7-11;2*1-6(2)4-3-5/h3-5,8-13H,6-7H2,1-2H3,(H,29,35)(H,32,33);3-7,10-14H,8-9H2,1-2H3,(H,28,34)(H,31,32);1-9H,(H,27,28)(H,29,30);1-10H,(H,26,27)(H,28,29);2*3-5H2,1-2H3
InChIKeyFPTOKJDRXRBHCY-UHFFFAOYSA-N
MW1894.00 g/mol
LogP14.77
Rot. Bonds22

About N-[2-(dimethylamino)ethyl]-3-fluoro-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxamide;bis(N',N'-dimethylethane-1,2-diamine);3-fluoro-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxylic acid;5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxylic acid

N-[2-(dimethylamino)ethyl]-3-fluoro-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxamide;bis(N',N'-dimethylethane-1,2-diamine);3-fluoro-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxylic acid;5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxylic acid (PubChem CID 158105406) has the molecular formula C100H90F6N28O6 and a molecular weight of 1894.00 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-fluoro-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxamide;bis(N',N'-dimethylethane-1,2-diamine);3-fluoro-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxylic acid;5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-fluoro-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxamide;bis(N',N'-dimethylethane-1,2-diamine);3-fluoro-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxylic acid;5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxylic acid
PubChem CID158105406
Molecular FormulaC100H90F6N28O6
Molecular Weight1894.00 g/mol
Exact Mass1892.75
IUPAC NameN-[2-(dimethylamino)ethyl]-3-fluoro-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxamide;bis(N',N'-dimethylethane-1,2-diamine);3-fluoro-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxylic acid;5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxylic acid
SMILESCN(C)CCN.CN(C)CCN.CN(C)CCNC(=O)c1ccc(-c2c(F)cnc3[nH]c4cnc(-c5cccnc5)cc4c23)cn1.CN(C)CCNC(=O)c1ncc(-c2c(F)cnc3[nH]c4cnc(-c5cccnc5)cc4c23)cc1F.O=C(O)c1ccc(-c2c(F)cnc3[nH]c4cnc(-c5cccnc5)cc4c23)cn1.O=C(O)c1ncc(-c2c(F)cnc3[nH]c4cnc(-c5cccnc5)cc4c23)cc1F
InChIInChI=1S/C25H21F2N7O.C25H22FN7O.C21H11F2N5O2.C21H12FN5O2.2C4H12N2/c1-34(2)7-6-29-25(35)23-17(26)8-15(11-31-23)21-18(27)12-32-24-22(21)16-9-19(30-13-20(16)33-24)14-4-3-5-28-10-14;1-33(2)9-8-28-25(34)19-6-5-16(12-29-19)22-18(26)13-31-24-23(22)17-10-20(30-14-21(17)32-24)15-4-3-7-27-11-15;22-13-4-11(7-26-19(13)21(29)30)17-14(23)8-27-20-18(17)12-5-15(25-9-16(12)28-20)10-2-1-3-24-6-10;22-14-9-26-20-19(18(14)12-3-4-15(21(28)29)24-8-12)13-6-16(25-10-17(13)27-20)11-2-1-5-23-7-11;2*1-6(2)4-3-5/h3-5,8-13H,6-7H2,1-2H3,(H,29,35)(H,32,33);3-7,10-14H,8-9H2,1-2H3,(H,28,34)(H,31,32);1-9H,(H,27,28)(H,29,30);1-10H,(H,26,27)(H,28,29);2*3-5H2,1-2H3
InChIKeyFPTOKJDRXRBHCY-UHFFFAOYSA-N
XLogP14.77
TPSA467.20 Ų
H-Bond Donors10
H-Bond Acceptors26
Rotatable Bonds22
Heavy Atoms140
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001894.00
LogP ≤ 514.77
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1026

Analyze N-[2-(dimethylamino)ethyl]-3-fluoro-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxamide;bis(N',N'-dimethylethane-1,2-diamine);3-fluoro-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxylic acid;5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-fluoro-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxamide;bis(N',N'-dimethylethane-1,2-diamine);3-fluoro-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxylic acid;5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxylic acid?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-fluoro-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxamide;bis(N',N'-dimethylethane-1,2-diamine);3-fluoro-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxylic acid;5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxylic acid (CID 158105406) is N-[2-(dimethylamino)ethyl]-3-fluoro-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxamide;bis(N',N'-dimethylethane-1,2-diamine);3-fluoro-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxylic acid;5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-fluoro-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxamide;bis(N',N'-dimethylethane-1,2-diamine);3-fluoro-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxylic acid;5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxylic acid?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-fluoro-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxamide;bis(N',N'-dimethylethane-1,2-diamine);3-fluoro-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxylic acid;5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxylic acid is CN(C)CCN.CN(C)CCN.CN(C)CCNC(=O)c1ccc(-c2c(F)cnc3[nH]c4cnc(-c5cccnc5)cc4c23)cn1.CN(C)CCNC(=O)c1ncc(-c2c(F)cnc3[nH]c4cnc(-c5cccnc5)cc4c23)cc1F.O=C(O)c1ccc(-c2c(F)cnc3[nH]c4cnc(-c5cccnc5)cc4c23)cn1.O=C(O)c1ncc(-c2c(F)cnc3[nH]c4cnc(-c5cccnc5)cc4c23)cc1F.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-fluoro-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxamide;bis(N',N'-dimethylethane-1,2-diamine);3-fluoro-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxylic acid;5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxylic acid?
The InChIKey is FPTOKJDRXRBHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N7O.C25H22FN7O.C21H11F2N5O2.C21H12FN5O2.2C4H12N2/c1-34(2)7-6-29-25(35)23-17(26)8-15(11-31-23)21-18(27)12-32-24-22(21)16-9-19(30-13-20(16)33-24)14-4-3-5-28-10-14;1-33(2)9-8-28-25(34)19-6-5-16(12-29-19)22-18(26)13-31-24-23(22)17-10-20(30-14-21(17)32-24)15-4-3-7-27-11-15;22-13-4-11(7-26-19(13)21(29)30)17-14(23)8-27-20-18(17)12-5-15(25-9-16(12)28-20)10-2-1-3-24-6-10;22-14-9-26-20-19(18(14)12-3-4-15(21(28)29)24-8-12)13-6-16(25-10-17(13)27-20)11-2-1-5-23-7-11;2*1-6(2)4-3-5/h3-5,8-13H,6-7H2,1-2H3,(H,29,35)(H,32,33);3-7,10-14H,8-9H2,1-2H3,(H,28,34)(H,31,32);1-9H,(H,27,28)(H,29,30);1-10H,(H,26,27)(H,28,29);2*3-5H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-3-fluoro-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxamide;bis(N',N'-dimethylethane-1,2-diamine);3-fluoro-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxylic acid;5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxylic acid?
N-[2-(dimethylamino)ethyl]-3-fluoro-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxamide;bis(N',N'-dimethylethane-1,2-diamine);3-fluoro-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxylic acid;5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxylic acid has a molecular weight of 1894.00 g/mol, XLogP of 14.77, 22 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-fluoro-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxamide;bis(N',N'-dimethylethane-1,2-diamine);3-fluoro-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxylic acid;5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 158105406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).