N-cyclopropyl-4-[[8-[4-[[(3S)-3-methylmorpholin-4-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide

C28H30N6O2 — CID 70929524

IUPACN-cyclopropyl-4-[[8-[4-[[(3S)-3-methylmorpholin-4-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESC[C@H]1COCCN1Cc1ccc(-c2cccn3nc(Nc4ccc(C(=O)NC5CC5)cc4)nc23)cc1
InChIInChI=1S/C28H30N6O2/c1-19-18-36-16-15-33(19)17-20-4-6-21(7-5-20)25-3-2-14-34-26(25)31-28(32-34)30-24-10-8-22(9-11-24)27(35)29-23-12-13-23/h2-11,14,19,23H,12-13,15-18H2,1H3,(H,29,35)(H,30,32)/t19-/m0/s1
InChIKeyJPYADMZOIIXYNB-IBGZPJMESA-N
MW482.59 g/mol
LogP4.25
Rot. Bonds7

About N-cyclopropyl-4-[[8-[4-[[(3S)-3-methylmorpholin-4-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide

N-cyclopropyl-4-[[8-[4-[[(3S)-3-methylmorpholin-4-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (PubChem CID 70929524) has the molecular formula C28H30N6O2 and a molecular weight of 482.59 g/mol. Its IUPAC name is N-cyclopropyl-4-[[8-[4-[[(3S)-3-methylmorpholin-4-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[8-[4-[[(3S)-3-methylmorpholin-4-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
PubChem CID70929524
Molecular FormulaC28H30N6O2
Molecular Weight482.59 g/mol
Exact Mass482.24
IUPAC NameN-cyclopropyl-4-[[8-[4-[[(3S)-3-methylmorpholin-4-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESC[C@H]1COCCN1Cc1ccc(-c2cccn3nc(Nc4ccc(C(=O)NC5CC5)cc4)nc23)cc1
InChIInChI=1S/C28H30N6O2/c1-19-18-36-16-15-33(19)17-20-4-6-21(7-5-20)25-3-2-14-34-26(25)31-28(32-34)30-24-10-8-22(9-11-24)27(35)29-23-12-13-23/h2-11,14,19,23H,12-13,15-18H2,1H3,(H,29,35)(H,30,32)/t19-/m0/s1
InChIKeyJPYADMZOIIXYNB-IBGZPJMESA-N
XLogP4.25
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 54.25
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-[[(3S)-3-methylmorpholin-4-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The IUPAC name of 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) is N-cyclopropyl-4-[[8-[4-[[(3S)-3-methylmorpholin-4-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[8-[4-[[(3S)-3-methylmorpholin-4-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[8-[4-[[(3S)-3-methylmorpholin-4-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is C[C@H]1COCCN1Cc1ccc(-c2cccn3nc(Nc4ccc(C(=O)NC5CC5)cc4)nc23)cc1.
What is the InChIKey of N-cyclopropyl-4-[[8-[4-[[(3S)-3-methylmorpholin-4-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The InChIKey is JPYADMZOIIXYNB-IBGZPJMESA-N. The full InChI is InChI=1S/C28H30N6O2/c1-19-18-36-16-15-33(19)17-20-4-6-21(7-5-20)25-3-2-14-34-26(25)31-28(32-34)30-24-10-8-22(9-11-24)27(35)29-23-12-13-23/h2-11,14,19,23H,12-13,15-18H2,1H3,(H,29,35)(H,30,32)/t19-/m0/s1.
What are the key properties of N-cyclopropyl-4-[[8-[4-[[(3S)-3-methylmorpholin-4-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
N-cyclopropyl-4-[[8-[4-[[(3S)-3-methylmorpholin-4-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide has a molecular weight of 482.59 g/mol, XLogP of 4.25, 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-[[(3S)-3-methylmorpholin-4-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is sourced from PubChem (CID 70929524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).