[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-pyrazol-1-ylpyrrolidin-1-yl]methanone

C22H19N7O2 — CID 70798508

IUPAC[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-pyrazol-1-ylpyrrolidin-1-yl]methanone
SMILESNc1nc2cc(-c3ccc4ncc(C(=O)N5CC[C@H](n6cccn6)C5)n4c3)ccc2o1
InChIInChI=1S/C22H19N7O2/c23-22-26-17-10-14(2-4-19(17)31-22)15-3-5-20-24-11-18(28(20)12-15)21(30)27-9-6-16(13-27)29-8-1-7-25-29/h1-5,7-8,10-12,16H,6,9,13H2,(H2,23,26)/t16-/m0/s1
InChIKeyXXTBEQCPJJICGS-INIZCTEOSA-N
MW413.44 g/mol
LogP3.01
Rot. Bonds3

About [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-pyrazol-1-ylpyrrolidin-1-yl]methanone

[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-pyrazol-1-ylpyrrolidin-1-yl]methanone (PubChem CID 70798508) has the molecular formula C22H19N7O2 and a molecular weight of 413.44 g/mol. Its IUPAC name is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-pyrazol-1-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-pyrazol-1-ylpyrrolidin-1-yl]methanone
PubChem CID70798508
Molecular FormulaC22H19N7O2
Molecular Weight413.44 g/mol
Exact Mass413.16
IUPAC Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-pyrazol-1-ylpyrrolidin-1-yl]methanone
SMILESNc1nc2cc(-c3ccc4ncc(C(=O)N5CC[C@H](n6cccn6)C5)n4c3)ccc2o1
InChIInChI=1S/C22H19N7O2/c23-22-26-17-10-14(2-4-19(17)31-22)15-3-5-20-24-11-18(28(20)12-15)21(30)27-9-6-16(13-27)29-8-1-7-25-29/h1-5,7-8,10-12,16H,6,9,13H2,(H2,23,26)/t16-/m0/s1
InChIKeyXXTBEQCPJJICGS-INIZCTEOSA-N
XLogP3.01
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-pyrazol-1-ylpyrrolidin-1-yl]methanone?
The IUPAC name of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-pyrazol-1-ylpyrrolidin-1-yl]methanone (CID 70798508) is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-pyrazol-1-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-pyrazol-1-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-pyrazol-1-ylpyrrolidin-1-yl]methanone is Nc1nc2cc(-c3ccc4ncc(C(=O)N5CC[C@H](n6cccn6)C5)n4c3)ccc2o1.
What is the InChIKey of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-pyrazol-1-ylpyrrolidin-1-yl]methanone?
The InChIKey is XXTBEQCPJJICGS-INIZCTEOSA-N. The full InChI is InChI=1S/C22H19N7O2/c23-22-26-17-10-14(2-4-19(17)31-22)15-3-5-20-24-11-18(28(20)12-15)21(30)27-9-6-16(13-27)29-8-1-7-25-29/h1-5,7-8,10-12,16H,6,9,13H2,(H2,23,26)/t16-/m0/s1.
What are the key properties of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-pyrazol-1-ylpyrrolidin-1-yl]methanone?
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-pyrazol-1-ylpyrrolidin-1-yl]methanone has a molecular weight of 413.44 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-pyrazol-1-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 70798508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).