2-amino-N-[4-[4-(4,7-diazaspiro[2.5]octane-7-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-[2-(dimethylamino)ethylcarbamoyl]piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylcarbamoyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(3,3-dimethylpiperazine-1-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide

C90H105F8N35O8 — CID 158214234

IUPAC2-amino-N-[4-[4-(4,7-diazaspiro[2.5]octane-7-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-[2-(dimethylamino)ethylcarbamoyl]piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylcarbamoyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(3,3-dimethylpiperazine-1-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(C)CN(C(=O)C2CCN(c3c(F)cncc3NC(=O)c3c(N)nn4cc(F)cnc34)CC2)CCN1.CN(C)C(=O)C1CCN(c2c(F)cncc2NC(=O)c2c(N)nn3cc(F)cnc23)CC1.CN(C)CCNC(=O)C1CCN(c2c(F)cncc2NC(=O)c2c(N)nn3cc(F)cnc23)CC1.Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(C(=O)N2CCNC3(CC3)C2)CC1
InChIInChI=1S/C24H27F2N9O2.C24H29F2N9O2.C22H27F2N9O2.C20H22F2N8O2/c25-15-9-29-21-18(20(27)32-35(21)12-15)22(36)31-17-11-28-10-16(26)19(17)33-6-1-14(2-7-33)23(37)34-8-5-30-24(13-34)3-4-24;1-24(2)13-34(8-5-30-24)23(37)14-3-6-33(7-4-14)19-16(26)10-28-11-17(19)31-22(36)18-20(27)32-35-12-15(25)9-29-21(18)35;1-31(2)8-5-27-21(34)13-3-6-32(7-4-13)18-15(24)10-26-11-16(18)29-22(35)17-19(25)30-33-12-14(23)9-28-20(17)33;1-28(2)20(32)11-3-5-29(6-4-11)16-13(22)8-24-9-14(16)26-19(31)15-17(23)27-30-10-12(21)7-25-18(15)30/h9-12,14,30H,1-8,13H2,(H2,27,32)(H,31,36);9-12,14,30H,3-8,13H2,1-2H3,(H2,27,32)(H,31,36);9-13H,3-8H2,1-2H3,(H2,25,30)(H,27,34)(H,29,35);7-11H,3-6H2,1-2H3,(H2,23,27)(H,26,31)
InChIKeyGCLGDKFBOGEDNV-UHFFFAOYSA-N
MW1957.05 g/mol
LogP5.75
Rot. Bonds19

About 2-amino-N-[4-[4-(4,7-diazaspiro[2.5]octane-7-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-[2-(dimethylamino)ethylcarbamoyl]piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylcarbamoyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(3,3-dimethylpiperazine-1-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[4-[4-(4,7-diazaspiro[2.5]octane-7-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-[2-(dimethylamino)ethylcarbamoyl]piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylcarbamoyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(3,3-dimethylpiperazine-1-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 158214234) has the molecular formula C90H105F8N35O8 and a molecular weight of 1957.05 g/mol. Its IUPAC name is 2-amino-N-[4-[4-(4,7-diazaspiro[2.5]octane-7-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-[2-(dimethylamino)ethylcarbamoyl]piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylcarbamoyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(3,3-dimethylpiperazine-1-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-[4-(4,7-diazaspiro[2.5]octane-7-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-[2-(dimethylamino)ethylcarbamoyl]piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylcarbamoyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(3,3-dimethylpiperazine-1-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID158214234
Molecular FormulaC90H105F8N35O8
Molecular Weight1957.05 g/mol
Exact Mass1955.88
IUPAC Name2-amino-N-[4-[4-(4,7-diazaspiro[2.5]octane-7-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-[2-(dimethylamino)ethylcarbamoyl]piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylcarbamoyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(3,3-dimethylpiperazine-1-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(C)CN(C(=O)C2CCN(c3c(F)cncc3NC(=O)c3c(N)nn4cc(F)cnc34)CC2)CCN1.CN(C)C(=O)C1CCN(c2c(F)cncc2NC(=O)c2c(N)nn3cc(F)cnc23)CC1.CN(C)CCNC(=O)C1CCN(c2c(F)cncc2NC(=O)c2c(N)nn3cc(F)cnc23)CC1.Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(C(=O)N2CCNC3(CC3)C2)CC1
InChIInChI=1S/C24H27F2N9O2.C24H29F2N9O2.C22H27F2N9O2.C20H22F2N8O2/c25-15-9-29-21-18(20(27)32-35(21)12-15)22(36)31-17-11-28-10-16(26)19(17)33-6-1-14(2-7-33)23(37)34-8-5-30-24(13-34)3-4-24;1-24(2)13-34(8-5-30-24)23(37)14-3-6-33(7-4-14)19-16(26)10-28-11-17(19)31-22(36)18-20(27)32-35-12-15(25)9-29-21(18)35;1-31(2)8-5-27-21(34)13-3-6-32(7-4-13)18-15(24)10-26-11-16(18)29-22(35)17-19(25)30-33-12-14(23)9-28-20(17)33;1-28(2)20(32)11-3-5-29(6-4-11)16-13(22)8-24-9-14(16)26-19(31)15-17(23)27-30-10-12(21)7-25-18(15)30/h9-12,14,30H,1-8,13H2,(H2,27,32)(H,31,36);9-12,14,30H,3-8,13H2,1-2H3,(H2,27,32)(H,31,36);9-13H,3-8H2,1-2H3,(H2,25,30)(H,27,34)(H,29,35);7-11H,3-6H2,1-2H3,(H2,23,27)(H,26,31)
InChIKeyGCLGDKFBOGEDNV-UHFFFAOYSA-N
XLogP5.75
TPSA523.09 Ų
H-Bond Donors11
H-Bond Acceptors35
Rotatable Bonds19
Heavy Atoms141
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001957.05
LogP ≤ 55.75
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1035

Analyze 2-amino-N-[4-[4-(4,7-diazaspiro[2.5]octane-7-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-[2-(dimethylamino)ethylcarbamoyl]piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylcarbamoyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(3,3-dimethylpiperazine-1-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide 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 2-amino-N-[4-[4-(4,7-diazaspiro[2.5]octane-7-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-[2-(dimethylamino)ethylcarbamoyl]piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylcarbamoyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(3,3-dimethylpiperazine-1-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[4-[4-(4,7-diazaspiro[2.5]octane-7-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-[2-(dimethylamino)ethylcarbamoyl]piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylcarbamoyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(3,3-dimethylpiperazine-1-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 158214234) is 2-amino-N-[4-[4-(4,7-diazaspiro[2.5]octane-7-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-[2-(dimethylamino)ethylcarbamoyl]piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylcarbamoyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(3,3-dimethylpiperazine-1-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[4-[4-(4,7-diazaspiro[2.5]octane-7-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-[2-(dimethylamino)ethylcarbamoyl]piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylcarbamoyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(3,3-dimethylpiperazine-1-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[4-[4-(4,7-diazaspiro[2.5]octane-7-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-[2-(dimethylamino)ethylcarbamoyl]piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylcarbamoyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(3,3-dimethylpiperazine-1-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1(C)CN(C(=O)C2CCN(c3c(F)cncc3NC(=O)c3c(N)nn4cc(F)cnc34)CC2)CCN1.CN(C)C(=O)C1CCN(c2c(F)cncc2NC(=O)c2c(N)nn3cc(F)cnc23)CC1.CN(C)CCNC(=O)C1CCN(c2c(F)cncc2NC(=O)c2c(N)nn3cc(F)cnc23)CC1.Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(C(=O)N2CCNC3(CC3)C2)CC1.
What is the InChIKey of 2-amino-N-[4-[4-(4,7-diazaspiro[2.5]octane-7-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-[2-(dimethylamino)ethylcarbamoyl]piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylcarbamoyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(3,3-dimethylpiperazine-1-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GCLGDKFBOGEDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N9O2.C24H29F2N9O2.C22H27F2N9O2.C20H22F2N8O2/c25-15-9-29-21-18(20(27)32-35(21)12-15)22(36)31-17-11-28-10-16(26)19(17)33-6-1-14(2-7-33)23(37)34-8-5-30-24(13-34)3-4-24;1-24(2)13-34(8-5-30-24)23(37)14-3-6-33(7-4-14)19-16(26)10-28-11-17(19)31-22(36)18-20(27)32-35-12-15(25)9-29-21(18)35;1-31(2)8-5-27-21(34)13-3-6-32(7-4-13)18-15(24)10-26-11-16(18)29-22(35)17-19(25)30-33-12-14(23)9-28-20(17)33;1-28(2)20(32)11-3-5-29(6-4-11)16-13(22)8-24-9-14(16)26-19(31)15-17(23)27-30-10-12(21)7-25-18(15)30/h9-12,14,30H,1-8,13H2,(H2,27,32)(H,31,36);9-12,14,30H,3-8,13H2,1-2H3,(H2,27,32)(H,31,36);9-13H,3-8H2,1-2H3,(H2,25,30)(H,27,34)(H,29,35);7-11H,3-6H2,1-2H3,(H2,23,27)(H,26,31).
What are the key properties of 2-amino-N-[4-[4-(4,7-diazaspiro[2.5]octane-7-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-[2-(dimethylamino)ethylcarbamoyl]piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylcarbamoyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(3,3-dimethylpiperazine-1-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[4-[4-(4,7-diazaspiro[2.5]octane-7-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-[2-(dimethylamino)ethylcarbamoyl]piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylcarbamoyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(3,3-dimethylpiperazine-1-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1957.05 g/mol, XLogP of 5.75, 19 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[4-(4,7-diazaspiro[2.5]octane-7-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-[2-(dimethylamino)ethylcarbamoyl]piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylcarbamoyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(3,3-dimethylpiperazine-1-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 158214234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).