3-[[[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile

C18H19ClN6O — CID 167961119

IUPAC3-[[[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
SMILESN#Cc1ccc2ncc(CN[C@@H]3CC(Cn4cc(Cl)cn4)C[C@H]3O)n2c1
InChIInChI=1S/C18H19ClN6O/c19-14-6-23-24(11-14)9-13-3-16(17(26)4-13)21-7-15-8-22-18-2-1-12(5-20)10-25(15)18/h1-2,6,8,10-11,13,16-17,21,26H,3-4,7,9H2/t13?,16-,17-/m1/s1
InChIKeySBUDBTHEKZSWTG-SYFTWWQRSA-N
MW370.84 g/mol
LogP1.99
Rot. Bonds5

About 3-[[[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile

3-[[[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile (PubChem CID 167961119) has the molecular formula C18H19ClN6O and a molecular weight of 370.84 g/mol. Its IUPAC name is 3-[[[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-[[[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
PubChem CID167961119
Molecular FormulaC18H19ClN6O
Molecular Weight370.84 g/mol
Exact Mass370.13
IUPAC Name3-[[[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
SMILESN#Cc1ccc2ncc(CN[C@@H]3CC(Cn4cc(Cl)cn4)C[C@H]3O)n2c1
InChIInChI=1S/C18H19ClN6O/c19-14-6-23-24(11-14)9-13-3-16(17(26)4-13)21-7-15-8-22-18-2-1-12(5-20)10-25(15)18/h1-2,6,8,10-11,13,16-17,21,26H,3-4,7,9H2/t13?,16-,17-/m1/s1
InChIKeySBUDBTHEKZSWTG-SYFTWWQRSA-N
XLogP1.99
TPSA91.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile?
The IUPAC name of 3-[[[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile (CID 167961119) is 3-[[[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile.
What is the SMILES notation for 3-[[[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile?
The canonical SMILES for 3-[[[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile is N#Cc1ccc2ncc(CN[C@@H]3CC(Cn4cc(Cl)cn4)C[C@H]3O)n2c1.
What is the InChIKey of 3-[[[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile?
The InChIKey is SBUDBTHEKZSWTG-SYFTWWQRSA-N. The full InChI is InChI=1S/C18H19ClN6O/c19-14-6-23-24(11-14)9-13-3-16(17(26)4-13)21-7-15-8-22-18-2-1-12(5-20)10-25(15)18/h1-2,6,8,10-11,13,16-17,21,26H,3-4,7,9H2/t13?,16-,17-/m1/s1.
What are the key properties of 3-[[[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile?
3-[[[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile has a molecular weight of 370.84 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile is sourced from PubChem (CID 167961119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).