N-[(2S)-1-(2-aminoimidazo[1,2-a]pyridin-3-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrole-2-carboxamide

C21H19N5O2 — CID 118730862

IUPACN-[(2S)-1-(2-aminoimidazo[1,2-a]pyridin-3-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrole-2-carboxamide
SMILESNc1nc2ccccn2c1C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc[nH]1
InChIInChI=1S/C21H19N5O2/c22-20-18(26-12-5-4-10-17(26)25-20)19(27)16(13-14-7-2-1-3-8-14)24-21(28)15-9-6-11-23-15/h1-12,16,23H,13,22H2,(H,24,28)/t16-/m0/s1
InChIKeySAGDZFLEDDXUHJ-INIZCTEOSA-N
MW373.42 g/mol
LogP2.47
Rot. Bonds6

About N-[(2S)-1-(2-aminoimidazo[1,2-a]pyridin-3-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrole-2-carboxamide

N-[(2S)-1-(2-aminoimidazo[1,2-a]pyridin-3-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrole-2-carboxamide (PubChem CID 118730862) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[(2S)-1-(2-aminoimidazo[1,2-a]pyridin-3-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(2-aminoimidazo[1,2-a]pyridin-3-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrole-2-carboxamide
PubChem CID118730862
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC NameN-[(2S)-1-(2-aminoimidazo[1,2-a]pyridin-3-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrole-2-carboxamide
SMILESNc1nc2ccccn2c1C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc[nH]1
InChIInChI=1S/C21H19N5O2/c22-20-18(26-12-5-4-10-17(26)25-20)19(27)16(13-14-7-2-1-3-8-14)24-21(28)15-9-6-11-23-15/h1-12,16,23H,13,22H2,(H,24,28)/t16-/m0/s1
InChIKeySAGDZFLEDDXUHJ-INIZCTEOSA-N
XLogP2.47
TPSA105.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2-aminoimidazo[1,2-a]pyridin-3-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(2S)-1-(2-aminoimidazo[1,2-a]pyridin-3-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrole-2-carboxamide (CID 118730862) is N-[(2S)-1-(2-aminoimidazo[1,2-a]pyridin-3-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(2-aminoimidazo[1,2-a]pyridin-3-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(2-aminoimidazo[1,2-a]pyridin-3-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrole-2-carboxamide is Nc1nc2ccccn2c1C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc[nH]1.
What is the InChIKey of N-[(2S)-1-(2-aminoimidazo[1,2-a]pyridin-3-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is SAGDZFLEDDXUHJ-INIZCTEOSA-N. The full InChI is InChI=1S/C21H19N5O2/c22-20-18(26-12-5-4-10-17(26)25-20)19(27)16(13-14-7-2-1-3-8-14)24-21(28)15-9-6-11-23-15/h1-12,16,23H,13,22H2,(H,24,28)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-(2-aminoimidazo[1,2-a]pyridin-3-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrole-2-carboxamide?
N-[(2S)-1-(2-aminoimidazo[1,2-a]pyridin-3-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 2.47, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2-aminoimidazo[1,2-a]pyridin-3-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 118730862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).