[1-cyclohexyl-2-[(3-fluoro-2-methylphenyl)methyl]-6-methoxypyrrolo[3,2-c]pyridin-3-yl]-piperazin-1-ylmethanone

C27H33FN4O2 — CID 56665264

IUPAC[1-cyclohexyl-2-[(3-fluoro-2-methylphenyl)methyl]-6-methoxypyrrolo[3,2-c]pyridin-3-yl]-piperazin-1-ylmethanone
SMILESCOc1cc2c(cn1)c(C(=O)N1CCNCC1)c(Cc1cccc(F)c1C)n2C1CCCCC1
InChIInChI=1S/C27H33FN4O2/c1-18-19(7-6-10-22(18)28)15-24-26(27(33)31-13-11-29-12-14-31)21-17-30-25(34-2)16-23(21)32(24)20-8-4-3-5-9-20/h6-7,10,16-17,20,29H,3-5,8-9,11-15H2,1-2H3
InChIKeyORAQZJSDWMMXBV-UHFFFAOYSA-N
MW464.59 g/mol
LogP4.63
Rot. Bonds5

About [1-cyclohexyl-2-[(3-fluoro-2-methylphenyl)methyl]-6-methoxypyrrolo[3,2-c]pyridin-3-yl]-piperazin-1-ylmethanone

[1-cyclohexyl-2-[(3-fluoro-2-methylphenyl)methyl]-6-methoxypyrrolo[3,2-c]pyridin-3-yl]-piperazin-1-ylmethanone (PubChem CID 56665264) has the molecular formula C27H33FN4O2 and a molecular weight of 464.59 g/mol. Its IUPAC name is [1-cyclohexyl-2-[(3-fluoro-2-methylphenyl)methyl]-6-methoxypyrrolo[3,2-c]pyridin-3-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[1-cyclohexyl-2-[(3-fluoro-2-methylphenyl)methyl]-6-methoxypyrrolo[3,2-c]pyridin-3-yl]-piperazin-1-ylmethanone
PubChem CID56665264
Molecular FormulaC27H33FN4O2
Molecular Weight464.59 g/mol
Exact Mass464.26
IUPAC Name[1-cyclohexyl-2-[(3-fluoro-2-methylphenyl)methyl]-6-methoxypyrrolo[3,2-c]pyridin-3-yl]-piperazin-1-ylmethanone
SMILESCOc1cc2c(cn1)c(C(=O)N1CCNCC1)c(Cc1cccc(F)c1C)n2C1CCCCC1
InChIInChI=1S/C27H33FN4O2/c1-18-19(7-6-10-22(18)28)15-24-26(27(33)31-13-11-29-12-14-31)21-17-30-25(34-2)16-23(21)32(24)20-8-4-3-5-9-20/h6-7,10,16-17,20,29H,3-5,8-9,11-15H2,1-2H3
InChIKeyORAQZJSDWMMXBV-UHFFFAOYSA-N
XLogP4.63
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-cyclohexyl-2-[(3-fluoro-2-methylphenyl)methyl]-6-methoxypyrrolo[3,2-c]pyridin-3-yl]-piperazin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-cyclohexyl-2-[(3-fluoro-2-methylphenyl)methyl]-6-methoxypyrrolo[3,2-c]pyridin-3-yl]-piperazin-1-ylmethanone?
The IUPAC name of [1-cyclohexyl-2-[(3-fluoro-2-methylphenyl)methyl]-6-methoxypyrrolo[3,2-c]pyridin-3-yl]-piperazin-1-ylmethanone (CID 56665264) is [1-cyclohexyl-2-[(3-fluoro-2-methylphenyl)methyl]-6-methoxypyrrolo[3,2-c]pyridin-3-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [1-cyclohexyl-2-[(3-fluoro-2-methylphenyl)methyl]-6-methoxypyrrolo[3,2-c]pyridin-3-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [1-cyclohexyl-2-[(3-fluoro-2-methylphenyl)methyl]-6-methoxypyrrolo[3,2-c]pyridin-3-yl]-piperazin-1-ylmethanone is COc1cc2c(cn1)c(C(=O)N1CCNCC1)c(Cc1cccc(F)c1C)n2C1CCCCC1.
What is the InChIKey of [1-cyclohexyl-2-[(3-fluoro-2-methylphenyl)methyl]-6-methoxypyrrolo[3,2-c]pyridin-3-yl]-piperazin-1-ylmethanone?
The InChIKey is ORAQZJSDWMMXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN4O2/c1-18-19(7-6-10-22(18)28)15-24-26(27(33)31-13-11-29-12-14-31)21-17-30-25(34-2)16-23(21)32(24)20-8-4-3-5-9-20/h6-7,10,16-17,20,29H,3-5,8-9,11-15H2,1-2H3.
What are the key properties of [1-cyclohexyl-2-[(3-fluoro-2-methylphenyl)methyl]-6-methoxypyrrolo[3,2-c]pyridin-3-yl]-piperazin-1-ylmethanone?
[1-cyclohexyl-2-[(3-fluoro-2-methylphenyl)methyl]-6-methoxypyrrolo[3,2-c]pyridin-3-yl]-piperazin-1-ylmethanone has a molecular weight of 464.59 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclohexyl-2-[(3-fluoro-2-methylphenyl)methyl]-6-methoxypyrrolo[3,2-c]pyridin-3-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 56665264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).