6-chloro-1-[(3R)-pyrrolidin-3-yl]-3H-imidazo[4,5-b]pyridin-2-one

C10H11ClN4O — CID 59594592

IUPAC6-chloro-1-[(3R)-pyrrolidin-3-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncc(Cl)cc2n1[C@@H]1CCNC1
InChIInChI=1S/C10H11ClN4O/c11-6-3-8-9(13-4-6)14-10(16)15(8)7-1-2-12-5-7/h3-4,7,12H,1-2,5H2,(H,13,14,16)/t7-/m1/s1
InChIKeyPSDZQNDKNUKTLC-SSDOTTSWSA-N
MW238.68 g/mol
LogP0.91
Rot. Bonds1

About 6-chloro-1-[(3R)-pyrrolidin-3-yl]-3H-imidazo[4,5-b]pyridin-2-one

6-chloro-1-[(3R)-pyrrolidin-3-yl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 59594592) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is 6-chloro-1-[(3R)-pyrrolidin-3-yl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-chloro-1-[(3R)-pyrrolidin-3-yl]-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID59594592
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC Name6-chloro-1-[(3R)-pyrrolidin-3-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncc(Cl)cc2n1[C@@H]1CCNC1
InChIInChI=1S/C10H11ClN4O/c11-6-3-8-9(13-4-6)14-10(16)15(8)7-1-2-12-5-7/h3-4,7,12H,1-2,5H2,(H,13,14,16)/t7-/m1/s1
InChIKeyPSDZQNDKNUKTLC-SSDOTTSWSA-N
XLogP0.91
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(3R)-pyrrolidin-3-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-chloro-1-[(3R)-pyrrolidin-3-yl]-3H-imidazo[4,5-b]pyridin-2-one (CID 59594592) is 6-chloro-1-[(3R)-pyrrolidin-3-yl]-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-chloro-1-[(3R)-pyrrolidin-3-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-chloro-1-[(3R)-pyrrolidin-3-yl]-3H-imidazo[4,5-b]pyridin-2-one is O=c1[nH]c2ncc(Cl)cc2n1[C@@H]1CCNC1.
What is the InChIKey of 6-chloro-1-[(3R)-pyrrolidin-3-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is PSDZQNDKNUKTLC-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H11ClN4O/c11-6-3-8-9(13-4-6)14-10(16)15(8)7-1-2-12-5-7/h3-4,7,12H,1-2,5H2,(H,13,14,16)/t7-/m1/s1.
What are the key properties of 6-chloro-1-[(3R)-pyrrolidin-3-yl]-3H-imidazo[4,5-b]pyridin-2-one?
6-chloro-1-[(3R)-pyrrolidin-3-yl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 238.68 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[(3R)-pyrrolidin-3-yl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 59594592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).