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

C29H30N6O2 — CID 70929475

IUPACN-cyclopropyl-4-[[8-[4-(1-morpholin-4-ylcyclopropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESO=C(NC1CC1)c1ccc(Nc2nc3c(-c4ccc(C5(N6CCOCC6)CC5)cc4)cccn3n2)cc1
InChIInChI=1S/C29H30N6O2/c36-27(30-23-11-12-23)21-5-9-24(10-6-21)31-28-32-26-25(2-1-15-35(26)33-28)20-3-7-22(8-4-20)29(13-14-29)34-16-18-37-19-17-34/h1-10,15,23H,11-14,16-19H2,(H,30,36)(H,31,33)
InChIKeyBHINGMSUWRVWPS-UHFFFAOYSA-N
MW494.60 g/mol
LogP4.35
Rot. Bonds7

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

N-cyclopropyl-4-[[8-[4-(1-morpholin-4-ylcyclopropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (PubChem CID 70929475) has the molecular formula C29H30N6O2 and a molecular weight of 494.60 g/mol. Its IUPAC name is N-cyclopropyl-4-[[8-[4-(1-morpholin-4-ylcyclopropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[8-[4-(1-morpholin-4-ylcyclopropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
PubChem CID70929475
Molecular FormulaC29H30N6O2
Molecular Weight494.60 g/mol
Exact Mass494.24
IUPAC NameN-cyclopropyl-4-[[8-[4-(1-morpholin-4-ylcyclopropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESO=C(NC1CC1)c1ccc(Nc2nc3c(-c4ccc(C5(N6CCOCC6)CC5)cc4)cccn3n2)cc1
InChIInChI=1S/C29H30N6O2/c36-27(30-23-11-12-23)21-5-9-24(10-6-21)31-28-32-26-25(2-1-15-35(26)33-28)20-3-7-22(8-4-20)29(13-14-29)34-16-18-37-19-17-34/h1-10,15,23H,11-14,16-19H2,(H,30,36)(H,31,33)
InChIKeyBHINGMSUWRVWPS-UHFFFAOYSA-N
XLogP4.35
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-[(1S)-1-morpholin-4-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 70929692
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
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
N-cyclopropyl-4-[[8-[6-(hydroxymethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 70929643
N-(2-hydroxyethyl)-4-[2-[4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
CID 70929450
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
N-cyclohexyl-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 44553302
N-cyclopropyl-2-hydroxy-4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 44623824
N,N-dimethyl-4-[2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
CID 70929598
N-(2-morpholin-4-ylethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 44553298

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[8-[4-(1-morpholin-4-ylcyclopropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The IUPAC name of N-cyclopropyl-4-[[8-[4-(1-morpholin-4-ylcyclopropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (CID 70929475) is N-cyclopropyl-4-[[8-[4-(1-morpholin-4-ylcyclopropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[8-[4-(1-morpholin-4-ylcyclopropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[8-[4-(1-morpholin-4-ylcyclopropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is O=C(NC1CC1)c1ccc(Nc2nc3c(-c4ccc(C5(N6CCOCC6)CC5)cc4)cccn3n2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[8-[4-(1-morpholin-4-ylcyclopropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The InChIKey is BHINGMSUWRVWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O2/c36-27(30-23-11-12-23)21-5-9-24(10-6-21)31-28-32-26-25(2-1-15-35(26)33-28)20-3-7-22(8-4-20)29(13-14-29)34-16-18-37-19-17-34/h1-10,15,23H,11-14,16-19H2,(H,30,36)(H,31,33).
What are the key properties of N-cyclopropyl-4-[[8-[4-(1-morpholin-4-ylcyclopropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
N-cyclopropyl-4-[[8-[4-(1-morpholin-4-ylcyclopropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide has a molecular weight of 494.60 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[8-[4-(1-morpholin-4-ylcyclopropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is sourced from PubChem (CID 70929475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).