4-[4-(3-amino-3-methylpyrrolidin-1-yl)-5-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-2-carbonitrile

C24H20F3N7 — CID 139392695

IUPAC4-[4-(3-amino-3-methylpyrrolidin-1-yl)-5-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-2-carbonitrile
SMILESCC1(N)CCN(c2c(-c3ccnc(C#N)c3)cncc2-c2nc3c(C(F)(F)F)cccc3[nH]2)C1
InChIInChI=1S/C24H20F3N7/c1-23(29)6-8-34(13-23)21-16(14-5-7-31-15(9-14)10-28)11-30-12-17(21)22-32-19-4-2-3-18(20(19)33-22)24(25,26)27/h2-5,7,9,11-12H,6,8,13,29H2,1H3,(H,32,33)
InChIKeyHRTDUKVWBYMBEV-UHFFFAOYSA-N
MW463.47 g/mol
LogP4.50
Rot. Bonds3

About 4-[4-(3-amino-3-methylpyrrolidin-1-yl)-5-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-2-carbonitrile

4-[4-(3-amino-3-methylpyrrolidin-1-yl)-5-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-2-carbonitrile (PubChem CID 139392695) has the molecular formula C24H20F3N7 and a molecular weight of 463.47 g/mol. Its IUPAC name is 4-[4-(3-amino-3-methylpyrrolidin-1-yl)-5-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[4-(3-amino-3-methylpyrrolidin-1-yl)-5-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-2-carbonitrile
PubChem CID139392695
Molecular FormulaC24H20F3N7
Molecular Weight463.47 g/mol
Exact Mass463.17
IUPAC Name4-[4-(3-amino-3-methylpyrrolidin-1-yl)-5-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-2-carbonitrile
SMILESCC1(N)CCN(c2c(-c3ccnc(C#N)c3)cncc2-c2nc3c(C(F)(F)F)cccc3[nH]2)C1
InChIInChI=1S/C24H20F3N7/c1-23(29)6-8-34(13-23)21-16(14-5-7-31-15(9-14)10-28)11-30-12-17(21)22-32-19-4-2-3-18(20(19)33-22)24(25,26)27/h2-5,7,9,11-12H,6,8,13,29H2,1H3,(H,32,33)
InChIKeyHRTDUKVWBYMBEV-UHFFFAOYSA-N
XLogP4.50
TPSA107.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.47
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[4-(3-amino-3-methylpyrrolidin-1-yl)-5-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-2-carbonitrile 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 4-[4-(3-amino-3-methylpyrrolidin-1-yl)-5-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[4-(3-amino-3-methylpyrrolidin-1-yl)-5-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-2-carbonitrile (CID 139392695) is 4-[4-(3-amino-3-methylpyrrolidin-1-yl)-5-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[4-(3-amino-3-methylpyrrolidin-1-yl)-5-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[4-(3-amino-3-methylpyrrolidin-1-yl)-5-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-2-carbonitrile is CC1(N)CCN(c2c(-c3ccnc(C#N)c3)cncc2-c2nc3c(C(F)(F)F)cccc3[nH]2)C1.
What is the InChIKey of 4-[4-(3-amino-3-methylpyrrolidin-1-yl)-5-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-2-carbonitrile?
The InChIKey is HRTDUKVWBYMBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N7/c1-23(29)6-8-34(13-23)21-16(14-5-7-31-15(9-14)10-28)11-30-12-17(21)22-32-19-4-2-3-18(20(19)33-22)24(25,26)27/h2-5,7,9,11-12H,6,8,13,29H2,1H3,(H,32,33).
What are the key properties of 4-[4-(3-amino-3-methylpyrrolidin-1-yl)-5-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-2-carbonitrile?
4-[4-(3-amino-3-methylpyrrolidin-1-yl)-5-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-2-carbonitrile has a molecular weight of 463.47 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-amino-3-methylpyrrolidin-1-yl)-5-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-2-carbonitrile is sourced from PubChem (CID 139392695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).