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

C29H32N6O2 — CID 70929446

IUPACN-cyclopropyl-4-[[8-[4-(2-morpholin-4-ylpropan-2-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESCC(C)(c1ccc(-c2cccn3nc(Nc4ccc(C(=O)NC5CC5)cc4)nc23)cc1)N1CCOCC1
InChIInChI=1S/C29H32N6O2/c1-29(2,34-16-18-37-19-17-34)22-9-5-20(6-10-22)25-4-3-15-35-26(25)32-28(33-35)31-24-11-7-21(8-12-24)27(36)30-23-13-14-23/h3-12,15,23H,13-14,16-19H2,1-2H3,(H,30,36)(H,31,33)
InChIKeyUFFPWARVQXDTHP-UHFFFAOYSA-N
MW496.62 g/mol
LogP4.60
Rot. Bonds7

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

N-cyclopropyl-4-[[8-[4-(2-morpholin-4-ylpropan-2-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (PubChem CID 70929446) has the molecular formula C29H32N6O2 and a molecular weight of 496.62 g/mol. Its IUPAC name is N-cyclopropyl-4-[[8-[4-(2-morpholin-4-ylpropan-2-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[8-[4-(2-morpholin-4-ylpropan-2-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
PubChem CID70929446
Molecular FormulaC29H32N6O2
Molecular Weight496.62 g/mol
Exact Mass496.26
IUPAC NameN-cyclopropyl-4-[[8-[4-(2-morpholin-4-ylpropan-2-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESCC(C)(c1ccc(-c2cccn3nc(Nc4ccc(C(=O)NC5CC5)cc4)nc23)cc1)N1CCOCC1
InChIInChI=1S/C29H32N6O2/c1-29(2,34-16-18-37-19-17-34)22-9-5-20(6-10-22)25-4-3-15-35-26(25)32-28(33-35)31-24-11-7-21(8-12-24)27(36)30-23-13-14-23/h3-12,15,23H,13-14,16-19H2,1-2H3,(H,30,36)(H,31,33)
InChIKeyUFFPWARVQXDTHP-UHFFFAOYSA-N
XLogP4.60
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.62
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[8-[4-(2-morpholin-4-ylpropan-2-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The IUPAC name of 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) is N-cyclopropyl-4-[[8-[4-(2-morpholin-4-ylpropan-2-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[8-[4-(2-morpholin-4-ylpropan-2-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[8-[4-(2-morpholin-4-ylpropan-2-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is CC(C)(c1ccc(-c2cccn3nc(Nc4ccc(C(=O)NC5CC5)cc4)nc23)cc1)N1CCOCC1.
What is the InChIKey of N-cyclopropyl-4-[[8-[4-(2-morpholin-4-ylpropan-2-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The InChIKey is UFFPWARVQXDTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O2/c1-29(2,34-16-18-37-19-17-34)22-9-5-20(6-10-22)25-4-3-15-35-26(25)32-28(33-35)31-24-11-7-21(8-12-24)27(36)30-23-13-14-23/h3-12,15,23H,13-14,16-19H2,1-2H3,(H,30,36)(H,31,33).
What are the key properties of N-cyclopropyl-4-[[8-[4-(2-morpholin-4-ylpropan-2-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
N-cyclopropyl-4-[[8-[4-(2-morpholin-4-ylpropan-2-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide has a molecular weight of 496.62 g/mol, XLogP of 4.60, 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-(2-morpholin-4-ylpropan-2-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is sourced from PubChem (CID 70929446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).