[1-[(4-phenylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-piperidin-1-ylmethanone

C26H31N3O — CID 177244912

IUPAC[1-[(4-phenylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cn(CC2CCC(c3ccccc3)CC2)c2cccnc12)N1CCCCC1
InChIInChI=1S/C26H31N3O/c30-26(28-16-5-2-6-17-28)23-19-29(24-10-7-15-27-25(23)24)18-20-11-13-22(14-12-20)21-8-3-1-4-9-21/h1,3-4,7-10,15,19-20,22H,2,5-6,11-14,16-18H2
InChIKeyNTIAPZGLDFJTIP-UHFFFAOYSA-N
MW401.55 g/mol
LogP5.64
Rot. Bonds4

About [1-[(4-phenylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-piperidin-1-ylmethanone

[1-[(4-phenylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-piperidin-1-ylmethanone (PubChem CID 177244912) has the molecular formula C26H31N3O and a molecular weight of 401.55 g/mol. Its IUPAC name is [1-[(4-phenylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[(4-phenylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-piperidin-1-ylmethanone
PubChem CID177244912
Molecular FormulaC26H31N3O
Molecular Weight401.55 g/mol
Exact Mass401.25
IUPAC Name[1-[(4-phenylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cn(CC2CCC(c3ccccc3)CC2)c2cccnc12)N1CCCCC1
InChIInChI=1S/C26H31N3O/c30-26(28-16-5-2-6-17-28)23-19-29(24-10-7-15-27-25(23)24)18-20-11-13-22(14-12-20)21-8-3-1-4-9-21/h1,3-4,7-10,15,19-20,22H,2,5-6,11-14,16-18H2
InChIKeyNTIAPZGLDFJTIP-UHFFFAOYSA-N
XLogP5.64
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.55
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-[(4-phenylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

[1-[(4-cyclohexylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone
CID 177244844
[1-[[4-[4-(methoxymethyl)phenyl]cyclohexyl]methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone
CID 177244937
N,N-diethyl-2-[1-[(4-phenylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]acetamide
CID 177244994
N-(2-methoxyethyl)-N-methyl-4-[4-[[3-(morpholine-4-carbonyl)pyrrolo[3,2-b]pyridin-1-yl]methyl]cyclohexyl]benzamide
CID 177244839
morpholin-4-yl-[1-[(4-phenylcyclohex-3-en-1-yl)methyl]pyrrolo[3,2-b]pyridin-3-yl]methanone
CID 177244714
[1-(2-adamantylmethyl)pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone
CID 177244796
(2-ethoxy-3-pyridinyl)-(3-phenylazepan-1-yl)methanone
CID 121146196
morpholin-4-yl-[1-[[4-(3-nitrophenyl)cyclohex-3-en-1-yl]methyl]pyrrolo[3,2-b]pyridin-3-yl]methanone
CID 177244715
[2-[2-cyclopropylethyl(methyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133398555
morpholin-4-yl-[1-[3-(N-phenylanilino)propyl]pyrrolo[3,2-b]pyridin-3-yl]methanone
CID 177244772
[2-(4-benzylpiperidin-1-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 1441062
1-cyclohexyl-3-(4-phenylpiperidine-1-carbonyl)-5-(pyrrolidine-1-carbonyl)pyridin-4-one
CID 42458784

Frequently Asked Questions

What is the IUPAC name of [1-[(4-phenylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-[(4-phenylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-piperidin-1-ylmethanone (CID 177244912) is [1-[(4-phenylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-[(4-phenylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-[(4-phenylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-piperidin-1-ylmethanone is O=C(c1cn(CC2CCC(c3ccccc3)CC2)c2cccnc12)N1CCCCC1.
What is the InChIKey of [1-[(4-phenylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is NTIAPZGLDFJTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O/c30-26(28-16-5-2-6-17-28)23-19-29(24-10-7-15-27-25(23)24)18-20-11-13-22(14-12-20)21-8-3-1-4-9-21/h1,3-4,7-10,15,19-20,22H,2,5-6,11-14,16-18H2.
What are the key properties of [1-[(4-phenylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-piperidin-1-ylmethanone?
[1-[(4-phenylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 401.55 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-phenylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 177244912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).