[2-[4-[1-benzyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-2-pyridinyl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-(3-hydroxycyclobutyl)methanone

C31H29N7O2 — CID 176777112

IUPAC[2-[4-[1-benzyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-2-pyridinyl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-(3-hydroxycyclobutyl)methanone
SMILESCc1cccc(-c2nn(Cc3ccccc3)cc2-c2ccnc(-c3nc4c([nH]3)CN(C(=O)C3CC(O)C3)C4)c2)n1
InChIInChI=1S/C31H29N7O2/c1-19-6-5-9-25(33-19)29-24(16-38(36-29)15-20-7-3-2-4-8-20)21-10-11-32-26(14-21)30-34-27-17-37(18-28(27)35-30)31(40)22-12-23(39)13-22/h2-11,14,16,22-23,39H,12-13,15,17-18H2,1H3,(H,34,35)
InChIKeyUOXAQIINACTHAA-UHFFFAOYSA-N
MW531.62 g/mol
LogP4.37
Rot. Bonds6

About [2-[4-[1-benzyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-2-pyridinyl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-(3-hydroxycyclobutyl)methanone

[2-[4-[1-benzyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-2-pyridinyl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-(3-hydroxycyclobutyl)methanone (PubChem CID 176777112) has the molecular formula C31H29N7O2 and a molecular weight of 531.62 g/mol. Its IUPAC name is [2-[4-[1-benzyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-2-pyridinyl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-(3-hydroxycyclobutyl)methanone.

Molecular Properties

Compound Name[2-[4-[1-benzyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-2-pyridinyl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-(3-hydroxycyclobutyl)methanone
PubChem CID176777112
Molecular FormulaC31H29N7O2
Molecular Weight531.62 g/mol
Exact Mass531.24
IUPAC Name[2-[4-[1-benzyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-2-pyridinyl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-(3-hydroxycyclobutyl)methanone
SMILESCc1cccc(-c2nn(Cc3ccccc3)cc2-c2ccnc(-c3nc4c([nH]3)CN(C(=O)C3CC(O)C3)C4)c2)n1
InChIInChI=1S/C31H29N7O2/c1-19-6-5-9-25(33-19)29-24(16-38(36-29)15-20-7-3-2-4-8-20)21-10-11-32-26(14-21)30-34-27-17-37(18-28(27)35-30)31(40)22-12-23(39)13-22/h2-11,14,16,22-23,39H,12-13,15,17-18H2,1H3,(H,34,35)
InChIKeyUOXAQIINACTHAA-UHFFFAOYSA-N
XLogP4.37
TPSA112.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.62
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-[4-[1-benzyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-2-pyridinyl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-(3-hydroxycyclobutyl)methanone 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 [2-[4-[1-benzyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-2-pyridinyl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-(3-hydroxycyclobutyl)methanone?
The IUPAC name of [2-[4-[1-benzyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-2-pyridinyl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-(3-hydroxycyclobutyl)methanone (CID 176777112) is [2-[4-[1-benzyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-2-pyridinyl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-(3-hydroxycyclobutyl)methanone.
What is the SMILES notation for [2-[4-[1-benzyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-2-pyridinyl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-(3-hydroxycyclobutyl)methanone?
The canonical SMILES for [2-[4-[1-benzyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-2-pyridinyl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-(3-hydroxycyclobutyl)methanone is Cc1cccc(-c2nn(Cc3ccccc3)cc2-c2ccnc(-c3nc4c([nH]3)CN(C(=O)C3CC(O)C3)C4)c2)n1.
What is the InChIKey of [2-[4-[1-benzyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-2-pyridinyl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-(3-hydroxycyclobutyl)methanone?
The InChIKey is UOXAQIINACTHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N7O2/c1-19-6-5-9-25(33-19)29-24(16-38(36-29)15-20-7-3-2-4-8-20)21-10-11-32-26(14-21)30-34-27-17-37(18-28(27)35-30)31(40)22-12-23(39)13-22/h2-11,14,16,22-23,39H,12-13,15,17-18H2,1H3,(H,34,35).
What are the key properties of [2-[4-[1-benzyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-2-pyridinyl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-(3-hydroxycyclobutyl)methanone?
[2-[4-[1-benzyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-2-pyridinyl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-(3-hydroxycyclobutyl)methanone has a molecular weight of 531.62 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[1-benzyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-2-pyridinyl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-(3-hydroxycyclobutyl)methanone is sourced from PubChem (CID 176777112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).