4-[[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methylamino]piperidine-1-carboxylic acid

C29H34N8O2 — CID 71074537

IUPAC4-[[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methylamino]piperidine-1-carboxylic acid
SMILESCC1CCCN1c1cccc(Nc2cc(-c3cccc(CNC4CCN(C(=O)O)CC4)c3)cn3ncnc23)n1
InChIInChI=1S/C29H34N8O2/c1-20-5-4-12-36(20)27-9-3-8-26(34-27)33-25-16-23(18-37-28(25)31-19-32-37)22-7-2-6-21(15-22)17-30-24-10-13-35(14-11-24)29(38)39/h2-3,6-9,15-16,18-20,24,30H,4-5,10-14,17H2,1H3,(H,33,34)(H,38,39)
InChIKeyTWLNFFAYFZDTEQ-UHFFFAOYSA-N
MW526.65 g/mol
LogP4.76
Rot. Bonds7

About 4-[[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methylamino]piperidine-1-carboxylic acid

4-[[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methylamino]piperidine-1-carboxylic acid (PubChem CID 71074537) has the molecular formula C29H34N8O2 and a molecular weight of 526.65 g/mol. Its IUPAC name is 4-[[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methylamino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methylamino]piperidine-1-carboxylic acid
PubChem CID71074537
Molecular FormulaC29H34N8O2
Molecular Weight526.65 g/mol
Exact Mass526.28
IUPAC Name4-[[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methylamino]piperidine-1-carboxylic acid
SMILESCC1CCCN1c1cccc(Nc2cc(-c3cccc(CNC4CCN(C(=O)O)CC4)c3)cn3ncnc23)n1
InChIInChI=1S/C29H34N8O2/c1-20-5-4-12-36(20)27-9-3-8-26(34-27)33-25-16-23(18-37-28(25)31-19-32-37)22-7-2-6-21(15-22)17-30-24-10-13-35(14-11-24)29(38)39/h2-3,6-9,15-16,18-20,24,30H,4-5,10-14,17H2,1H3,(H,33,34)(H,38,39)
InChIKeyTWLNFFAYFZDTEQ-UHFFFAOYSA-N
XLogP4.76
TPSA110.92 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.65
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methylamino]piperidine-1-carboxylic acid with MolForge

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Related Compounds

2,2,2-trifluoro-N-[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide
CID 89251779
N-[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine
CID 71525988
4-[8-[[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzoic acid
CID 86682726
6-(2-methylphenyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine
CID 71526079
N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-b]pyridazin-8-amine
CID 147738894
N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-(2-piperidin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine
CID 71526620
N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine
CID 71526698
[1-[6-[(6-phenylimidazo[1,2-b]pyridazin-8-yl)amino]-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 71525809
tert-butyl 4-[[3-(methoxymethyl)phenyl]methylamino]azepane-1-carboxylate
CID 113361531
N-[(3-methylphenyl)methyl]cyclopentanamine;oxalic acid
CID 163327213
3-phenyl-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)piperidin-1-yl]propan-1-one
CID 53190818
cyclopropyl-[4-[[3-(2-methylphenyl)phenyl]methylamino]piperidin-1-yl]methanone
CID 56827303

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methylamino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methylamino]piperidine-1-carboxylic acid (CID 71074537) is 4-[[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methylamino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methylamino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methylamino]piperidine-1-carboxylic acid is CC1CCCN1c1cccc(Nc2cc(-c3cccc(CNC4CCN(C(=O)O)CC4)c3)cn3ncnc23)n1.
What is the InChIKey of 4-[[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methylamino]piperidine-1-carboxylic acid?
The InChIKey is TWLNFFAYFZDTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N8O2/c1-20-5-4-12-36(20)27-9-3-8-26(34-27)33-25-16-23(18-37-28(25)31-19-32-37)22-7-2-6-21(15-22)17-30-24-10-13-35(14-11-24)29(38)39/h2-3,6-9,15-16,18-20,24,30H,4-5,10-14,17H2,1H3,(H,33,34)(H,38,39).
What are the key properties of 4-[[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methylamino]piperidine-1-carboxylic acid?
4-[[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methylamino]piperidine-1-carboxylic acid has a molecular weight of 526.65 g/mol, XLogP of 4.76, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methylamino]piperidine-1-carboxylic acid is sourced from PubChem (CID 71074537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).