N-[5-[4-[(2-phenylmorpholin-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C27H27N5O2 — CID 58374585

IUPACN-[5-[4-[(2-phenylmorpholin-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(CN4CCOC(c5ccccc5)C4)cc3)n2n1)C1CC1
InChIInChI=1S/C27H27N5O2/c33-26(22-13-14-22)29-27-28-25-8-4-7-23(32(25)30-27)20-11-9-19(10-12-20)17-31-15-16-34-24(18-31)21-5-2-1-3-6-21/h1-12,22,24H,13-18H2,(H,29,30,33)
InChIKeySQJNHGZWSVKYCV-UHFFFAOYSA-N
MW453.55 g/mol
LogP4.32
Rot. Bonds6

About N-[5-[4-[(2-phenylmorpholin-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-[(2-phenylmorpholin-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 58374585) has the molecular formula C27H27N5O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is N-[5-[4-[(2-phenylmorpholin-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-[(2-phenylmorpholin-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID58374585
Molecular FormulaC27H27N5O2
Molecular Weight453.55 g/mol
Exact Mass453.22
IUPAC NameN-[5-[4-[(2-phenylmorpholin-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(CN4CCOC(c5ccccc5)C4)cc3)n2n1)C1CC1
InChIInChI=1S/C27H27N5O2/c33-26(22-13-14-22)29-27-28-25-8-4-7-23(32(25)30-27)20-11-9-19(10-12-20)17-31-15-16-34-24(18-31)21-5-2-1-3-6-21/h1-12,22,24H,13-18H2,(H,29,30,33)
InChIKeySQJNHGZWSVKYCV-UHFFFAOYSA-N
XLogP4.32
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[(2-phenylmorpholin-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-[(2-phenylmorpholin-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 58374585) is N-[5-[4-[(2-phenylmorpholin-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-[(2-phenylmorpholin-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-[(2-phenylmorpholin-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3ccc(CN4CCOC(c5ccccc5)C4)cc3)n2n1)C1CC1.
What is the InChIKey of N-[5-[4-[(2-phenylmorpholin-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is SQJNHGZWSVKYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2/c33-26(22-13-14-22)29-27-28-25-8-4-7-23(32(25)30-27)20-11-9-19(10-12-20)17-31-15-16-34-24(18-31)21-5-2-1-3-6-21/h1-12,22,24H,13-18H2,(H,29,30,33).
What are the key properties of N-[5-[4-[(2-phenylmorpholin-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-[(2-phenylmorpholin-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 453.55 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[(2-phenylmorpholin-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 58374585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).