3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one

C18H20N6O — CID 154772466

IUPAC3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2cccnc2n1C1CCN(c2ncnc3c2CCC3)CC1
InChIInChI=1S/C18H20N6O/c25-18-22-15-5-2-8-19-17(15)24(18)12-6-9-23(10-7-12)16-13-3-1-4-14(13)20-11-21-16/h2,5,8,11-12H,1,3-4,6-7,9-10H2,(H,22,25)
InChIKeyCQVGNDOWBWXMPR-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.84
Rot. Bonds2

About 3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one

3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 154772466) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID154772466
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2cccnc2n1C1CCN(c2ncnc3c2CCC3)CC1
InChIInChI=1S/C18H20N6O/c25-18-22-15-5-2-8-19-17(15)24(18)12-6-9-23(10-7-12)16-13-3-1-4-14(13)20-11-21-16/h2,5,8,11-12H,1,3-4,6-7,9-10H2,(H,22,25)
InChIKeyCQVGNDOWBWXMPR-UHFFFAOYSA-N
XLogP1.84
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one (CID 154772466) is 3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one is O=c1[nH]c2cccnc2n1C1CCN(c2ncnc3c2CCC3)CC1.
What is the InChIKey of 3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is CQVGNDOWBWXMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c25-18-22-15-5-2-8-19-17(15)24(18)12-6-9-23(10-7-12)16-13-3-1-4-14(13)20-11-21-16/h2,5,8,11-12H,1,3-4,6-7,9-10H2,(H,22,25).
What are the key properties of 3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one?
3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 336.40 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 154772466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).