N-cyclopropyl-4-[[8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide

C25H28N8O2 — CID 70929460

IUPACN-cyclopropyl-4-[[8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESO=C(NC1CC1)c1ccc(Nc2nc3c(-c4cnn(CCN5CCOCC5)c4)cccn3n2)cc1
InChIInChI=1S/C25H28N8O2/c34-24(27-20-7-8-20)18-3-5-21(6-4-18)28-25-29-23-22(2-1-9-33(23)30-25)19-16-26-32(17-19)11-10-31-12-14-35-15-13-31/h1-6,9,16-17,20H,7-8,10-15H2,(H,27,34)(H,28,30)
InChIKeyZQLLGDKQTCUHFX-UHFFFAOYSA-N
MW472.55 g/mol
LogP2.56
Rot. Bonds8

About N-cyclopropyl-4-[[8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide

N-cyclopropyl-4-[[8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (PubChem CID 70929460) has the molecular formula C25H28N8O2 and a molecular weight of 472.55 g/mol. Its IUPAC name is N-cyclopropyl-4-[[8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
PubChem CID70929460
Molecular FormulaC25H28N8O2
Molecular Weight472.55 g/mol
Exact Mass472.23
IUPAC NameN-cyclopropyl-4-[[8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESO=C(NC1CC1)c1ccc(Nc2nc3c(-c4cnn(CCN5CCOCC5)c4)cccn3n2)cc1
InChIInChI=1S/C25H28N8O2/c34-24(27-20-7-8-20)18-3-5-21(6-4-18)28-25-29-23-22(2-1-9-33(23)30-25)19-16-26-32(17-19)11-10-31-12-14-35-15-13-31/h1-6,9,16-17,20H,7-8,10-15H2,(H,27,34)(H,28,30)
InChIKeyZQLLGDKQTCUHFX-UHFFFAOYSA-N
XLogP2.56
TPSA101.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-cyclopropyl-4-[[8-[4-(2-morpholin-4-ylpropan-2-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 70929446
N-cyclopropyl-4-[[8-[4-(1-morpholin-4-ylcyclopropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 70929475
N-cyclopropyl-4-[[8-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 70929692
N-cyclopropyl-4-[[8-[6-(hydroxymethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 70929643
N-cyclopropyl-4-[[8-[4-[[(3S)-3-methylmorpholin-4-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 70929524
4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 59199086
2-hydroxy-1-[4-[[8-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone
CID 70659936
N-(2-morpholin-4-ylethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 44553298
N-(2-hydroxyethyl)-4-[2-[4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
CID 70929450
N-cyclohexyl-4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide
CID 158405230
ethane;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;propane
CID 143916044
N-cyclopropyl-4-[[8-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 70929537

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The IUPAC name of N-cyclopropyl-4-[[8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (CID 70929460) is N-cyclopropyl-4-[[8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is O=C(NC1CC1)c1ccc(Nc2nc3c(-c4cnn(CCN5CCOCC5)c4)cccn3n2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The InChIKey is ZQLLGDKQTCUHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O2/c34-24(27-20-7-8-20)18-3-5-21(6-4-18)28-25-29-23-22(2-1-9-33(23)30-25)19-16-26-32(17-19)11-10-31-12-14-35-15-13-31/h1-6,9,16-17,20H,7-8,10-15H2,(H,27,34)(H,28,30).
What are the key properties of N-cyclopropyl-4-[[8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
N-cyclopropyl-4-[[8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide has a molecular weight of 472.55 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is sourced from PubChem (CID 70929460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).