[(3S)-3-[4-(chloroamino)imidazo[4,5-c]pyridin-1-yl]cyclopentyl]methanol

C12H15ClN4O — CID 88903809

IUPAC[(3S)-3-[4-(chloroamino)imidazo[4,5-c]pyridin-1-yl]cyclopentyl]methanol
SMILESOCC1CC[C@H](n2cnc3c(NCl)nccc32)C1
InChIInChI=1S/C12H15ClN4O/c13-16-12-11-10(3-4-14-12)17(7-15-11)9-2-1-8(5-9)6-18/h3-4,7-9,18H,1-2,5-6H2,(H,14,16)/t8?,9-/m0/s1
InChIKeyIGHPFNWLERHSNI-GKAPJAKFSA-N
MW266.73 g/mol
LogP2.33
Rot. Bonds3

About [(3S)-3-[4-(chloroamino)imidazo[4,5-c]pyridin-1-yl]cyclopentyl]methanol

[(3S)-3-[4-(chloroamino)imidazo[4,5-c]pyridin-1-yl]cyclopentyl]methanol (PubChem CID 88903809) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is [(3S)-3-[4-(chloroamino)imidazo[4,5-c]pyridin-1-yl]cyclopentyl]methanol.

Molecular Properties

Compound Name[(3S)-3-[4-(chloroamino)imidazo[4,5-c]pyridin-1-yl]cyclopentyl]methanol
PubChem CID88903809
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name[(3S)-3-[4-(chloroamino)imidazo[4,5-c]pyridin-1-yl]cyclopentyl]methanol
SMILESOCC1CC[C@H](n2cnc3c(NCl)nccc32)C1
InChIInChI=1S/C12H15ClN4O/c13-16-12-11-10(3-4-14-12)17(7-15-11)9-2-1-8(5-9)6-18/h3-4,7-9,18H,1-2,5-6H2,(H,14,16)/t8?,9-/m0/s1
InChIKeyIGHPFNWLERHSNI-GKAPJAKFSA-N
XLogP2.33
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[4-(chloroamino)imidazo[4,5-c]pyridin-1-yl]cyclopentyl]methanol?
The IUPAC name of [(3S)-3-[4-(chloroamino)imidazo[4,5-c]pyridin-1-yl]cyclopentyl]methanol (CID 88903809) is [(3S)-3-[4-(chloroamino)imidazo[4,5-c]pyridin-1-yl]cyclopentyl]methanol.
What is the SMILES notation for [(3S)-3-[4-(chloroamino)imidazo[4,5-c]pyridin-1-yl]cyclopentyl]methanol?
The canonical SMILES for [(3S)-3-[4-(chloroamino)imidazo[4,5-c]pyridin-1-yl]cyclopentyl]methanol is OCC1CC[C@H](n2cnc3c(NCl)nccc32)C1.
What is the InChIKey of [(3S)-3-[4-(chloroamino)imidazo[4,5-c]pyridin-1-yl]cyclopentyl]methanol?
The InChIKey is IGHPFNWLERHSNI-GKAPJAKFSA-N. The full InChI is InChI=1S/C12H15ClN4O/c13-16-12-11-10(3-4-14-12)17(7-15-11)9-2-1-8(5-9)6-18/h3-4,7-9,18H,1-2,5-6H2,(H,14,16)/t8?,9-/m0/s1.
What are the key properties of [(3S)-3-[4-(chloroamino)imidazo[4,5-c]pyridin-1-yl]cyclopentyl]methanol?
[(3S)-3-[4-(chloroamino)imidazo[4,5-c]pyridin-1-yl]cyclopentyl]methanol has a molecular weight of 266.73 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[4-(chloroamino)imidazo[4,5-c]pyridin-1-yl]cyclopentyl]methanol is sourced from PubChem (CID 88903809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).