1-[1-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

C23H23N7O2S — CID 58386505

IUPAC1-[1-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=C(c1cc(N2CCC(n3c(=O)[nH]c4ncccc43)CC2)ncn1)N1CCc2sccc2C1
InChIInChI=1S/C23H23N7O2S/c31-22(29-10-5-19-15(13-29)6-11-33-19)17-12-20(26-14-25-17)28-8-3-16(4-9-28)30-18-2-1-7-24-21(18)27-23(30)32/h1-2,6-7,11-12,14,16H,3-5,8-10,13H2,(H,24,27,32)
InChIKeyHTVSBGMPKVSYTR-UHFFFAOYSA-N
MW461.55 g/mol
LogP2.62
Rot. Bonds3

About 1-[1-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

1-[1-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 58386505) has the molecular formula C23H23N7O2S and a molecular weight of 461.55 g/mol. Its IUPAC name is 1-[1-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[1-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID58386505
Molecular FormulaC23H23N7O2S
Molecular Weight461.55 g/mol
Exact Mass461.16
IUPAC Name1-[1-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=C(c1cc(N2CCC(n3c(=O)[nH]c4ncccc43)CC2)ncn1)N1CCc2sccc2C1
InChIInChI=1S/C23H23N7O2S/c31-22(29-10-5-19-15(13-29)6-11-33-19)17-12-20(26-14-25-17)28-8-3-16(4-9-28)30-18-2-1-7-24-21(18)27-23(30)32/h1-2,6-7,11-12,14,16H,3-5,8-10,13H2,(H,24,27,32)
InChIKeyHTVSBGMPKVSYTR-UHFFFAOYSA-N
XLogP2.62
TPSA100.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[1-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[1-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (CID 58386505) is 1-[1-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[1-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[1-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is O=C(c1cc(N2CCC(n3c(=O)[nH]c4ncccc43)CC2)ncn1)N1CCc2sccc2C1.
What is the InChIKey of 1-[1-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is HTVSBGMPKVSYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2S/c31-22(29-10-5-19-15(13-29)6-11-33-19)17-12-20(26-14-25-17)28-8-3-16(4-9-28)30-18-2-1-7-24-21(18)27-23(30)32/h1-2,6-7,11-12,14,16H,3-5,8-10,13H2,(H,24,27,32).
What are the key properties of 1-[1-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
1-[1-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 461.55 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 58386505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).