N-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]cyclopent-3-en-1-yl]formamide

C21H23N7O2 — CID 144945612

IUPACN-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]cyclopent-3-en-1-yl]formamide
SMILESO=CNC1CC=C(c2cc(Nc3ccc(N4CCOCC4)cn3)c3ncnn3c2)C1
InChIInChI=1S/C21H23N7O2/c29-14-24-17-2-1-15(9-17)16-10-19(21-23-13-25-28(21)12-16)26-20-4-3-18(11-22-20)27-5-7-30-8-6-27/h1,3-4,10-14,17H,2,5-9H2,(H,22,26)(H,24,29)
InChIKeySOGIVXCNDBYVJW-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.00
Rot. Bonds6

About N-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]cyclopent-3-en-1-yl]formamide

N-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]cyclopent-3-en-1-yl]formamide (PubChem CID 144945612) has the molecular formula C21H23N7O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]cyclopent-3-en-1-yl]formamide.

Molecular Properties

Compound NameN-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]cyclopent-3-en-1-yl]formamide
PubChem CID144945612
Molecular FormulaC21H23N7O2
Molecular Weight405.46 g/mol
Exact Mass405.19
IUPAC NameN-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]cyclopent-3-en-1-yl]formamide
SMILESO=CNC1CC=C(c2cc(Nc3ccc(N4CCOCC4)cn3)c3ncnn3c2)C1
InChIInChI=1S/C21H23N7O2/c29-14-24-17-2-1-15(9-17)16-10-19(21-23-13-25-28(21)12-16)26-20-4-3-18(11-22-20)27-5-7-30-8-6-27/h1,3-4,10-14,17H,2,5-9H2,(H,22,26)(H,24,29)
InChIKeySOGIVXCNDBYVJW-UHFFFAOYSA-N
XLogP2.00
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]cyclopent-3-en-1-yl]formamide with MolForge

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Launch Full Analysis

Related Compounds

1-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]piperidin-1-yl]prop-2-en-1-one
CID 118456708
1-methyl-3-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridin-2-one
CID 68767381
2-cyclohexyl-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
CID 43049107
2-amino-N-(5-morpholin-4-yl-2-pyridinyl)-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797645
methyl 6-bromo-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate
CID 67404315
N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 135948865
6-(3H-indol-5-yl)-5-methyl-N-(5-morpholin-4-yl-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine
CID 157435542
6-(2,6-difluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridine-3-carboxamide
CID 174998817
4-N-(1,1-dioxothiolan-3-yl)-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
CID 112862016
6-(2-chloro-5-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 171909100
N-[[3-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]methyl]prop-2-enamide
CID 118467002
2-chloro-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-4-carboxamide
CID 33447939

Frequently Asked Questions

What is the IUPAC name of N-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]cyclopent-3-en-1-yl]formamide?
The IUPAC name of N-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]cyclopent-3-en-1-yl]formamide (CID 144945612) is N-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]cyclopent-3-en-1-yl]formamide.
What is the SMILES notation for N-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]cyclopent-3-en-1-yl]formamide?
The canonical SMILES for N-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]cyclopent-3-en-1-yl]formamide is O=CNC1CC=C(c2cc(Nc3ccc(N4CCOCC4)cn3)c3ncnn3c2)C1.
What is the InChIKey of N-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]cyclopent-3-en-1-yl]formamide?
The InChIKey is SOGIVXCNDBYVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2/c29-14-24-17-2-1-15(9-17)16-10-19(21-23-13-25-28(21)12-16)26-20-4-3-18(11-22-20)27-5-7-30-8-6-27/h1,3-4,10-14,17H,2,5-9H2,(H,22,26)(H,24,29).
What are the key properties of N-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]cyclopent-3-en-1-yl]formamide?
N-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]cyclopent-3-en-1-yl]formamide has a molecular weight of 405.46 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]cyclopent-3-en-1-yl]formamide is sourced from PubChem (CID 144945612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).