1-[5-[6-[3-[[2-(1H-indol-3-yl)acetyl]amino]-1H-1,2,4-triazol-5-yl]-3-pyridinyl]pyrimidin-2-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide

C34H30N14O2 — CID 129301411

IUPAC1-[5-[6-[3-[[2-(1H-indol-3-yl)acetyl]amino]-1H-1,2,4-triazol-5-yl]-3-pyridinyl]pyrimidin-2-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide
SMILESO=C(Cc1c[nH]c2ccccc12)Nc1n[nH]c(-c2ccc(-c3cnc(N4CCCC(C(=O)Nc5n[nH]c(-c6ccccn6)n5)C4)nc3)cn2)n1
InChIInChI=1S/C34H30N14O2/c49-28(14-22-16-36-25-8-2-1-7-24(22)25)40-32-41-30(45-46-32)27-11-10-20(15-37-27)23-17-38-34(39-18-23)48-13-5-6-21(19-48)31(50)43-33-42-29(44-47-33)26-9-3-4-12-35-26/h1-4,7-12,15-18,21,36H,5-6,13-14,19H2,(H2,40,41,45,46,49)(H2,42,43,44,47,50)
InChIKeyATOGHWLBZRZYAO-UHFFFAOYSA-N
MW666.71 g/mol
LogP4.02
Rot. Bonds9

About 1-[5-[6-[3-[[2-(1H-indol-3-yl)acetyl]amino]-1H-1,2,4-triazol-5-yl]-3-pyridinyl]pyrimidin-2-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide

1-[5-[6-[3-[[2-(1H-indol-3-yl)acetyl]amino]-1H-1,2,4-triazol-5-yl]-3-pyridinyl]pyrimidin-2-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide (PubChem CID 129301411) has the molecular formula C34H30N14O2 and a molecular weight of 666.71 g/mol. Its IUPAC name is 1-[5-[6-[3-[[2-(1H-indol-3-yl)acetyl]amino]-1H-1,2,4-triazol-5-yl]-3-pyridinyl]pyrimidin-2-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-[6-[3-[[2-(1H-indol-3-yl)acetyl]amino]-1H-1,2,4-triazol-5-yl]-3-pyridinyl]pyrimidin-2-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide
PubChem CID129301411
Molecular FormulaC34H30N14O2
Molecular Weight666.71 g/mol
Exact Mass666.27
IUPAC Name1-[5-[6-[3-[[2-(1H-indol-3-yl)acetyl]amino]-1H-1,2,4-triazol-5-yl]-3-pyridinyl]pyrimidin-2-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide
SMILESO=C(Cc1c[nH]c2ccccc12)Nc1n[nH]c(-c2ccc(-c3cnc(N4CCCC(C(=O)Nc5n[nH]c(-c6ccccn6)n5)C4)nc3)cn2)n1
InChIInChI=1S/C34H30N14O2/c49-28(14-22-16-36-25-8-2-1-7-24(22)25)40-32-41-30(45-46-32)27-11-10-20(15-37-27)23-17-38-34(39-18-23)48-13-5-6-21(19-48)31(50)43-33-42-29(44-47-33)26-9-3-4-12-35-26/h1-4,7-12,15-18,21,36H,5-6,13-14,19H2,(H2,40,41,45,46,49)(H2,42,43,44,47,50)
InChIKeyATOGHWLBZRZYAO-UHFFFAOYSA-N
XLogP4.02
TPSA211.93 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.71
LogP ≤ 54.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze 1-[5-[6-[3-[[2-(1H-indol-3-yl)acetyl]amino]-1H-1,2,4-triazol-5-yl]-3-pyridinyl]pyrimidin-2-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopentanecarboxamide
CID 51081301
methyl (2R)-3-(1H-indol-3-yl)-2-[(1-pyrimidin-2-ylpiperidine-3-carbonyl)amino]propanoate
CID 55938302
N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 86207135
(3R)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 96556820
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 96557817
1-butanoyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide
CID 87035974
1-[6-[2-[3-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-1H-1,2,4-triazol-5-yl]-3-pyridinyl]pyrazin-2-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide
CID 129300945
N-[5-[3-(1H-indol-3-yl)propyl]-1H-1,2,4-triazol-3-yl]cyclopropanecarboxamide
CID 71701996
N-[2-(1H-indol-3-yl)ethyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide
CID 50781586
(3S)-1-(6-cyclopropylpyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 99873101
N-(4-methylphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 53107179
N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-(1H-indol-3-yl)acetamide
CID 92576515

Frequently Asked Questions

What is the IUPAC name of 1-[5-[6-[3-[[2-(1H-indol-3-yl)acetyl]amino]-1H-1,2,4-triazol-5-yl]-3-pyridinyl]pyrimidin-2-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide?
The IUPAC name of 1-[5-[6-[3-[[2-(1H-indol-3-yl)acetyl]amino]-1H-1,2,4-triazol-5-yl]-3-pyridinyl]pyrimidin-2-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide (CID 129301411) is 1-[5-[6-[3-[[2-(1H-indol-3-yl)acetyl]amino]-1H-1,2,4-triazol-5-yl]-3-pyridinyl]pyrimidin-2-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[5-[6-[3-[[2-(1H-indol-3-yl)acetyl]amino]-1H-1,2,4-triazol-5-yl]-3-pyridinyl]pyrimidin-2-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-[5-[6-[3-[[2-(1H-indol-3-yl)acetyl]amino]-1H-1,2,4-triazol-5-yl]-3-pyridinyl]pyrimidin-2-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide is O=C(Cc1c[nH]c2ccccc12)Nc1n[nH]c(-c2ccc(-c3cnc(N4CCCC(C(=O)Nc5n[nH]c(-c6ccccn6)n5)C4)nc3)cn2)n1.
What is the InChIKey of 1-[5-[6-[3-[[2-(1H-indol-3-yl)acetyl]amino]-1H-1,2,4-triazol-5-yl]-3-pyridinyl]pyrimidin-2-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide?
The InChIKey is ATOGHWLBZRZYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N14O2/c49-28(14-22-16-36-25-8-2-1-7-24(22)25)40-32-41-30(45-46-32)27-11-10-20(15-37-27)23-17-38-34(39-18-23)48-13-5-6-21(19-48)31(50)43-33-42-29(44-47-33)26-9-3-4-12-35-26/h1-4,7-12,15-18,21,36H,5-6,13-14,19H2,(H2,40,41,45,46,49)(H2,42,43,44,47,50).
What are the key properties of 1-[5-[6-[3-[[2-(1H-indol-3-yl)acetyl]amino]-1H-1,2,4-triazol-5-yl]-3-pyridinyl]pyrimidin-2-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide?
1-[5-[6-[3-[[2-(1H-indol-3-yl)acetyl]amino]-1H-1,2,4-triazol-5-yl]-3-pyridinyl]pyrimidin-2-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide has a molecular weight of 666.71 g/mol, XLogP of 4.02, 9 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[6-[3-[[2-(1H-indol-3-yl)acetyl]amino]-1H-1,2,4-triazol-5-yl]-3-pyridinyl]pyrimidin-2-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 129301411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).