2-amino-N-[(3S,4R)-4-[(4-bromophenyl)methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4R)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid;methane

C66H79BrN16O8 — CID 159143745

IUPAC2-amino-N-[(3S,4R)-4-[(4-bromophenyl)methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4R)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid;methane
SMILESC.C.CN1CCN(Cc2ccc(-c3ccc(CO[C@H]4COC[C@@H]4NC(=O)c4cc(-c5cnn(C)c5)cnc4N)cc3)cc2)CC1.Cn1cc(-c2cnc(N)c(C(=O)N[C@H]3COC[C@@H]3OCc3ccc(Br)cc3)c2)cn1.Cn1cc(-c2cnc(N)c(C(=O)O)c2)cn1
InChIInChI=1S/C33H39N7O3.C21H22BrN5O3.C10H10N4O2.2CH4/c1-38-11-13-40(14-12-38)18-23-3-7-25(8-4-23)26-9-5-24(6-10-26)20-43-31-22-42-21-30(31)37-33(41)29-15-27(16-35-32(29)34)28-17-36-39(2)19-28;1-27-9-15(8-25-27)14-6-17(20(23)24-7-14)21(28)26-18-11-29-12-19(18)30-10-13-2-4-16(22)5-3-13;1-14-5-7(4-13-14)6-2-8(10(15)16)9(11)12-3-6;;/h3-10,15-17,19,30-31H,11-14,18,20-22H2,1-2H3,(H2,34,35)(H,37,41);2-9,18-19H,10-12H2,1H3,(H2,23,24)(H,26,28);2-5H,1H3,(H2,11,12)(H,15,16);2*1H4/t30-,31-;18-,19-;;;/m00.../s1
InChIKeyKIKOSZMVTYZLJS-CGJNPLCKSA-N
MW1304.37 g/mol
LogP7.77
Rot. Bonds17

About 2-amino-N-[(3S,4R)-4-[(4-bromophenyl)methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4R)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid;methane

2-amino-N-[(3S,4R)-4-[(4-bromophenyl)methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4R)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid;methane (PubChem CID 159143745) has the molecular formula C66H79BrN16O8 and a molecular weight of 1304.37 g/mol. Its IUPAC name is 2-amino-N-[(3S,4R)-4-[(4-bromophenyl)methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4R)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid;methane.

Molecular Properties

Compound Name2-amino-N-[(3S,4R)-4-[(4-bromophenyl)methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4R)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid;methane
PubChem CID159143745
Molecular FormulaC66H79BrN16O8
Molecular Weight1304.37 g/mol
Exact Mass1302.55
IUPAC Name2-amino-N-[(3S,4R)-4-[(4-bromophenyl)methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4R)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid;methane
SMILESC.C.CN1CCN(Cc2ccc(-c3ccc(CO[C@H]4COC[C@@H]4NC(=O)c4cc(-c5cnn(C)c5)cnc4N)cc3)cc2)CC1.Cn1cc(-c2cnc(N)c(C(=O)N[C@H]3COC[C@@H]3OCc3ccc(Br)cc3)c2)cn1.Cn1cc(-c2cnc(N)c(C(=O)O)c2)cn1
InChIInChI=1S/C33H39N7O3.C21H22BrN5O3.C10H10N4O2.2CH4/c1-38-11-13-40(14-12-38)18-23-3-7-25(8-4-23)26-9-5-24(6-10-26)20-43-31-22-42-21-30(31)37-33(41)29-15-27(16-35-32(29)34)28-17-36-39(2)19-28;1-27-9-15(8-25-27)14-6-17(20(23)24-7-14)21(28)26-18-11-29-12-19(18)30-10-13-2-4-16(22)5-3-13;1-14-5-7(4-13-14)6-2-8(10(15)16)9(11)12-3-6;;/h3-10,15-17,19,30-31H,11-14,18,20-22H2,1-2H3,(H2,34,35)(H,37,41);2-9,18-19H,10-12H2,1H3,(H2,23,24)(H,26,28);2-5H,1H3,(H2,11,12)(H,15,16);2*1H4/t30-,31-;18-,19-;;;/m00.../s1
InChIKeyKIKOSZMVTYZLJS-CGJNPLCKSA-N
XLogP7.77
TPSA309.09 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms91
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001304.37
LogP ≤ 57.77
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze 2-amino-N-[(3S,4R)-4-[(4-bromophenyl)methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4R)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3S,4R)-4-[(4-bromophenyl)methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4R)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid;methane?
The IUPAC name of 2-amino-N-[(3S,4R)-4-[(4-bromophenyl)methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4R)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid;methane (CID 159143745) is 2-amino-N-[(3S,4R)-4-[(4-bromophenyl)methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4R)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid;methane.
What is the SMILES notation for 2-amino-N-[(3S,4R)-4-[(4-bromophenyl)methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4R)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid;methane?
The canonical SMILES for 2-amino-N-[(3S,4R)-4-[(4-bromophenyl)methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4R)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid;methane is C.C.CN1CCN(Cc2ccc(-c3ccc(CO[C@H]4COC[C@@H]4NC(=O)c4cc(-c5cnn(C)c5)cnc4N)cc3)cc2)CC1.Cn1cc(-c2cnc(N)c(C(=O)N[C@H]3COC[C@@H]3OCc3ccc(Br)cc3)c2)cn1.Cn1cc(-c2cnc(N)c(C(=O)O)c2)cn1.
What is the InChIKey of 2-amino-N-[(3S,4R)-4-[(4-bromophenyl)methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4R)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid;methane?
The InChIKey is KIKOSZMVTYZLJS-CGJNPLCKSA-N. The full InChI is InChI=1S/C33H39N7O3.C21H22BrN5O3.C10H10N4O2.2CH4/c1-38-11-13-40(14-12-38)18-23-3-7-25(8-4-23)26-9-5-24(6-10-26)20-43-31-22-42-21-30(31)37-33(41)29-15-27(16-35-32(29)34)28-17-36-39(2)19-28;1-27-9-15(8-25-27)14-6-17(20(23)24-7-14)21(28)26-18-11-29-12-19(18)30-10-13-2-4-16(22)5-3-13;1-14-5-7(4-13-14)6-2-8(10(15)16)9(11)12-3-6;;/h3-10,15-17,19,30-31H,11-14,18,20-22H2,1-2H3,(H2,34,35)(H,37,41);2-9,18-19H,10-12H2,1H3,(H2,23,24)(H,26,28);2-5H,1H3,(H2,11,12)(H,15,16);2*1H4/t30-,31-;18-,19-;;;/m00.../s1.
What are the key properties of 2-amino-N-[(3S,4R)-4-[(4-bromophenyl)methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4R)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid;methane?
2-amino-N-[(3S,4R)-4-[(4-bromophenyl)methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4R)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid;methane has a molecular weight of 1304.37 g/mol, XLogP of 7.77, 17 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3S,4R)-4-[(4-bromophenyl)methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4R)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid;methane is sourced from PubChem (CID 159143745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).