7-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one

C23H31N5O2 — CID 164921632

IUPAC7-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one
SMILESCCn1c(C)cc(C(=O)N2CCC(c3ccnc4[nH]c(=O)n(C(C)C)c34)CC2)c1C
InChIInChI=1S/C23H31N5O2/c1-6-27-15(4)13-19(16(27)5)22(29)26-11-8-17(9-12-26)18-7-10-24-21-20(18)28(14(2)3)23(30)25-21/h7,10,13-14,17H,6,8-9,11-12H2,1-5H3,(H,24,25,30)
InChIKeyPUUPITUZGJTNCM-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.76
Rot. Bonds4

About 7-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one

7-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 164921632) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 7-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name7-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID164921632
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC Name7-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one
SMILESCCn1c(C)cc(C(=O)N2CCC(c3ccnc4[nH]c(=O)n(C(C)C)c34)CC2)c1C
InChIInChI=1S/C23H31N5O2/c1-6-27-15(4)13-19(16(27)5)22(29)26-11-8-17(9-12-26)18-7-10-24-21-20(18)28(14(2)3)23(30)25-21/h7,10,13-14,17H,6,8-9,11-12H2,1-5H3,(H,24,25,30)
InChIKeyPUUPITUZGJTNCM-UHFFFAOYSA-N
XLogP3.76
TPSA75.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 7-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one (CID 164921632) is 7-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 7-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 7-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one is CCn1c(C)cc(C(=O)N2CCC(c3ccnc4[nH]c(=O)n(C(C)C)c34)CC2)c1C.
What is the InChIKey of 7-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is PUUPITUZGJTNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-6-27-15(4)13-19(16(27)5)22(29)26-11-8-17(9-12-26)18-7-10-24-21-20(18)28(14(2)3)23(30)25-21/h7,10,13-14,17H,6,8-9,11-12H2,1-5H3,(H,24,25,30).
What are the key properties of 7-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one?
7-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 409.53 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 164921632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).