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

C14H19ClN4O — CID 68738376

IUPAC6-chloro-1-(4-propan-2-ylpiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESCC(C)C1(n2c(=O)[nH]c3ncc(Cl)cc32)CCNCC1
InChIInChI=1S/C14H19ClN4O/c1-9(2)14(3-5-16-6-4-14)19-11-7-10(15)8-17-12(11)18-13(19)20/h7-9,16H,3-6H2,1-2H3,(H,17,18,20)
InChIKeyWEDFSKWRYSAJEO-UHFFFAOYSA-N
MW294.79 g/mol
LogP2.11
Rot. Bonds2

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

6-chloro-1-(4-propan-2-ylpiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 68738376) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is 6-chloro-1-(4-propan-2-ylpiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-chloro-1-(4-propan-2-ylpiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID68738376
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name6-chloro-1-(4-propan-2-ylpiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESCC(C)C1(n2c(=O)[nH]c3ncc(Cl)cc32)CCNCC1
InChIInChI=1S/C14H19ClN4O/c1-9(2)14(3-5-16-6-4-14)19-11-7-10(15)8-17-12(11)18-13(19)20/h7-9,16H,3-6H2,1-2H3,(H,17,18,20)
InChIKeyWEDFSKWRYSAJEO-UHFFFAOYSA-N
XLogP2.11
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(4-propan-2-ylpiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-chloro-1-(4-propan-2-ylpiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one (CID 68738376) is 6-chloro-1-(4-propan-2-ylpiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-chloro-1-(4-propan-2-ylpiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-chloro-1-(4-propan-2-ylpiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one is CC(C)C1(n2c(=O)[nH]c3ncc(Cl)cc32)CCNCC1.
What is the InChIKey of 6-chloro-1-(4-propan-2-ylpiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is WEDFSKWRYSAJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c1-9(2)14(3-5-16-6-4-14)19-11-7-10(15)8-17-12(11)18-13(19)20/h7-9,16H,3-6H2,1-2H3,(H,17,18,20).
What are the key properties of 6-chloro-1-(4-propan-2-ylpiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one?
6-chloro-1-(4-propan-2-ylpiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 294.79 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(4-propan-2-ylpiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 68738376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).