1-[1-[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

C23H26N10O — CID 66802145

IUPAC1-[1-[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCCn1ncc(-c2nc3c(N4CCC(n5c(=O)[nH]c6ncccc65)CC4)ncnc3n2C)c1C
InChIInChI=1S/C23H26N10O/c1-4-32-14(2)16(12-27-32)20-28-18-21(30(20)3)25-13-26-22(18)31-10-7-15(8-11-31)33-17-6-5-9-24-19(17)29-23(33)34/h5-6,9,12-13,15H,4,7-8,10-11H2,1-3H3,(H,24,29,34)
InChIKeyWRPLWRLROFHFJF-UHFFFAOYSA-N
MW458.53 g/mol
LogP2.43
Rot. Bonds4

About 1-[1-[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

1-[1-[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 66802145) has the molecular formula C23H26N10O and a molecular weight of 458.53 g/mol. Its IUPAC name is 1-[1-[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[1-[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID66802145
Molecular FormulaC23H26N10O
Molecular Weight458.53 g/mol
Exact Mass458.23
IUPAC Name1-[1-[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCCn1ncc(-c2nc3c(N4CCC(n5c(=O)[nH]c6ncccc65)CC4)ncnc3n2C)c1C
InChIInChI=1S/C23H26N10O/c1-4-32-14(2)16(12-27-32)20-28-18-21(30(20)3)25-13-26-22(18)31-10-7-15(8-11-31)33-17-6-5-9-24-19(17)29-23(33)34/h5-6,9,12-13,15H,4,7-8,10-11H2,1-3H3,(H,24,29,34)
InChIKeyWRPLWRLROFHFJF-UHFFFAOYSA-N
XLogP2.43
TPSA115.34 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[1-[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (CID 66802145) is 1-[1-[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[1-[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[1-[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is CCn1ncc(-c2nc3c(N4CCC(n5c(=O)[nH]c6ncccc65)CC4)ncnc3n2C)c1C.
What is the InChIKey of 1-[1-[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is WRPLWRLROFHFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N10O/c1-4-32-14(2)16(12-27-32)20-28-18-21(30(20)3)25-13-26-22(18)31-10-7-15(8-11-31)33-17-6-5-9-24-19(17)29-23(33)34/h5-6,9,12-13,15H,4,7-8,10-11H2,1-3H3,(H,24,29,34).
What are the key properties of 1-[1-[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
1-[1-[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 458.53 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 66802145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).