1-cyclopentyl-N-[[5-[3-(4-pyridin-2-yl-2,3-dihydro-1H-benzimidazol-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]methanamine

C31H31N7 — CID 90287111

IUPAC1-cyclopentyl-N-[[5-[3-(4-pyridin-2-yl-2,3-dihydro-1H-benzimidazol-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
SMILESc1ccc(-c2cccc3c2NC(c2[nH]nc4ccc(-c5cncc(CNCC6CCCC6)c5)cc24)N3)nc1
InChIInChI=1S/C31H31N7/c1-2-7-20(6-1)16-32-17-21-14-23(19-33-18-21)22-11-12-27-25(15-22)30(38-37-27)31-35-28-10-5-8-24(29(28)36-31)26-9-3-4-13-34-26/h3-5,8-15,18-20,31-32,35-36H,1-2,6-7,16-17H2,(H,37,38)
InChIKeyINCSPZCTMBUHGS-UHFFFAOYSA-N
MW501.64 g/mol
LogP6.50
Rot. Bonds7

About 1-cyclopentyl-N-[[5-[3-(4-pyridin-2-yl-2,3-dihydro-1H-benzimidazol-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]methanamine

1-cyclopentyl-N-[[5-[3-(4-pyridin-2-yl-2,3-dihydro-1H-benzimidazol-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]methanamine (PubChem CID 90287111) has the molecular formula C31H31N7 and a molecular weight of 501.64 g/mol. Its IUPAC name is 1-cyclopentyl-N-[[5-[3-(4-pyridin-2-yl-2,3-dihydro-1H-benzimidazol-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-[[5-[3-(4-pyridin-2-yl-2,3-dihydro-1H-benzimidazol-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
PubChem CID90287111
Molecular FormulaC31H31N7
Molecular Weight501.64 g/mol
Exact Mass501.26
IUPAC Name1-cyclopentyl-N-[[5-[3-(4-pyridin-2-yl-2,3-dihydro-1H-benzimidazol-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
SMILESc1ccc(-c2cccc3c2NC(c2[nH]nc4ccc(-c5cncc(CNCC6CCCC6)c5)cc24)N3)nc1
InChIInChI=1S/C31H31N7/c1-2-7-20(6-1)16-32-17-21-14-23(19-33-18-21)22-11-12-27-25(15-22)30(38-37-27)31-35-28-10-5-8-24(29(28)36-31)26-9-3-4-13-34-26/h3-5,8-15,18-20,31-32,35-36H,1-2,6-7,16-17H2,(H,37,38)
InChIKeyINCSPZCTMBUHGS-UHFFFAOYSA-N
XLogP6.50
TPSA90.55 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.64
LogP ≤ 56.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-cyclopentyl-N-[[5-[3-(4-pyridin-2-yl-2,3-dihydro-1H-benzimidazol-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]methanamine 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-cyclopentyl-N-[[5-[3-(4-pyridin-2-yl-2,3-dihydro-1H-benzimidazol-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]methanamine?
The IUPAC name of 1-cyclopentyl-N-[[5-[3-(4-pyridin-2-yl-2,3-dihydro-1H-benzimidazol-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]methanamine (CID 90287111) is 1-cyclopentyl-N-[[5-[3-(4-pyridin-2-yl-2,3-dihydro-1H-benzimidazol-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]methanamine.
What is the SMILES notation for 1-cyclopentyl-N-[[5-[3-(4-pyridin-2-yl-2,3-dihydro-1H-benzimidazol-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]methanamine?
The canonical SMILES for 1-cyclopentyl-N-[[5-[3-(4-pyridin-2-yl-2,3-dihydro-1H-benzimidazol-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]methanamine is c1ccc(-c2cccc3c2NC(c2[nH]nc4ccc(-c5cncc(CNCC6CCCC6)c5)cc24)N3)nc1.
What is the InChIKey of 1-cyclopentyl-N-[[5-[3-(4-pyridin-2-yl-2,3-dihydro-1H-benzimidazol-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]methanamine?
The InChIKey is INCSPZCTMBUHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N7/c1-2-7-20(6-1)16-32-17-21-14-23(19-33-18-21)22-11-12-27-25(15-22)30(38-37-27)31-35-28-10-5-8-24(29(28)36-31)26-9-3-4-13-34-26/h3-5,8-15,18-20,31-32,35-36H,1-2,6-7,16-17H2,(H,37,38).
What are the key properties of 1-cyclopentyl-N-[[5-[3-(4-pyridin-2-yl-2,3-dihydro-1H-benzimidazol-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]methanamine?
1-cyclopentyl-N-[[5-[3-(4-pyridin-2-yl-2,3-dihydro-1H-benzimidazol-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]methanamine has a molecular weight of 501.64 g/mol, XLogP of 6.50, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[[5-[3-(4-pyridin-2-yl-2,3-dihydro-1H-benzimidazol-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]methanamine is sourced from PubChem (CID 90287111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).