1-[(3R)-1-cyanopyrrolidin-3-yl]-3-imidazo[1,2-a]pyridin-2-ylurea

C13H14N6O — CID 165414471

IUPAC1-[(3R)-1-cyanopyrrolidin-3-yl]-3-imidazo[1,2-a]pyridin-2-ylurea
SMILESN#CN1CC[C@@H](NC(=O)Nc2cn3ccccc3n2)C1
InChIInChI=1S/C13H14N6O/c14-9-18-6-4-10(7-18)15-13(20)17-11-8-19-5-2-1-3-12(19)16-11/h1-3,5,8,10H,4,6-7H2,(H2,15,17,20)/t10-/m1/s1
InChIKeyMPHTUYRHKDNUPA-SNVBAGLBSA-N
MW270.30 g/mol
LogP1.01
Rot. Bonds2

About 1-[(3R)-1-cyanopyrrolidin-3-yl]-3-imidazo[1,2-a]pyridin-2-ylurea

1-[(3R)-1-cyanopyrrolidin-3-yl]-3-imidazo[1,2-a]pyridin-2-ylurea (PubChem CID 165414471) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 1-[(3R)-1-cyanopyrrolidin-3-yl]-3-imidazo[1,2-a]pyridin-2-ylurea.

Molecular Properties

Compound Name1-[(3R)-1-cyanopyrrolidin-3-yl]-3-imidazo[1,2-a]pyridin-2-ylurea
PubChem CID165414471
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name1-[(3R)-1-cyanopyrrolidin-3-yl]-3-imidazo[1,2-a]pyridin-2-ylurea
SMILESN#CN1CC[C@@H](NC(=O)Nc2cn3ccccc3n2)C1
InChIInChI=1S/C13H14N6O/c14-9-18-6-4-10(7-18)15-13(20)17-11-8-19-5-2-1-3-12(19)16-11/h1-3,5,8,10H,4,6-7H2,(H2,15,17,20)/t10-/m1/s1
InChIKeyMPHTUYRHKDNUPA-SNVBAGLBSA-N
XLogP1.01
TPSA85.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

1-[(3S)-1-benzylpyrrolidin-3-yl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea
CID 94028303
1-cyclopentyl-3-(2-imidazo[1,2-a]pyridin-2-ylphenyl)urea
CID 121149732
N-[4-(imidazo[1,2-a]pyridine-2-carbonylamino)cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 171722185
N-(1-cyanopyrrolidin-3-yl)-1-phenylpyrazole-3-carboxamide
CID 134363588
N-(1-cyanopyrrolidin-3-yl)-5-phenylpyrimidine-2-carboxamide
CID 122590469
1-[4-(imidazo[1,2-a]pyridin-2-ylmethylamino)piperidin-1-yl]ethanone
CID 60664512
(1-cyanopyrrolidin-3-yl)carbamic acid
CID 91325257
(3S)-1-cyano-N-[6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide
CID 118981293
N-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenylpyrrolidine-1-carboxamide
CID 122590666
N-(1-cyanopyrrolidin-3-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 122590866
N-(1-cyanopyrrolidin-3-yl)-3-methoxy-3-phenylazetidine-1-carboxamide
CID 122590683
N-(1-benzylpiperidin-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 51254704

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-cyanopyrrolidin-3-yl]-3-imidazo[1,2-a]pyridin-2-ylurea?
The IUPAC name of 1-[(3R)-1-cyanopyrrolidin-3-yl]-3-imidazo[1,2-a]pyridin-2-ylurea (CID 165414471) is 1-[(3R)-1-cyanopyrrolidin-3-yl]-3-imidazo[1,2-a]pyridin-2-ylurea.
What is the SMILES notation for 1-[(3R)-1-cyanopyrrolidin-3-yl]-3-imidazo[1,2-a]pyridin-2-ylurea?
The canonical SMILES for 1-[(3R)-1-cyanopyrrolidin-3-yl]-3-imidazo[1,2-a]pyridin-2-ylurea is N#CN1CC[C@@H](NC(=O)Nc2cn3ccccc3n2)C1.
What is the InChIKey of 1-[(3R)-1-cyanopyrrolidin-3-yl]-3-imidazo[1,2-a]pyridin-2-ylurea?
The InChIKey is MPHTUYRHKDNUPA-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14N6O/c14-9-18-6-4-10(7-18)15-13(20)17-11-8-19-5-2-1-3-12(19)16-11/h1-3,5,8,10H,4,6-7H2,(H2,15,17,20)/t10-/m1/s1.
What are the key properties of 1-[(3R)-1-cyanopyrrolidin-3-yl]-3-imidazo[1,2-a]pyridin-2-ylurea?
1-[(3R)-1-cyanopyrrolidin-3-yl]-3-imidazo[1,2-a]pyridin-2-ylurea has a molecular weight of 270.30 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-cyanopyrrolidin-3-yl]-3-imidazo[1,2-a]pyridin-2-ylurea is sourced from PubChem (CID 165414471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).