3-amino-N-[5-(4-amino-5-fluoroazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide

C22H25F2N7O — CID 74983153

IUPAC3-amino-N-[5-(4-amino-5-fluoroazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide
SMILESCn1ncc(NC(=O)c2nc(-c3ccccc3F)ccc2N)c1N1CCC(N)C(F)CC1
InChIInChI=1S/C22H25F2N7O/c1-30-22(31-10-8-15(24)16(25)9-11-31)19(12-27-30)29-21(32)20-17(26)6-7-18(28-20)13-4-2-3-5-14(13)23/h2-7,12,15-16H,8-11,25-26H2,1H3,(H,29,32)
InChIKeyQSIQZITVOIMBTL-UHFFFAOYSA-N
MW441.49 g/mol
LogP2.72
Rot. Bonds4

About 3-amino-N-[5-(4-amino-5-fluoroazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide

3-amino-N-[5-(4-amino-5-fluoroazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide (PubChem CID 74983153) has the molecular formula C22H25F2N7O and a molecular weight of 441.49 g/mol. Its IUPAC name is 3-amino-N-[5-(4-amino-5-fluoroazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[5-(4-amino-5-fluoroazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide
PubChem CID74983153
Molecular FormulaC22H25F2N7O
Molecular Weight441.49 g/mol
Exact Mass441.21
IUPAC Name3-amino-N-[5-(4-amino-5-fluoroazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide
SMILESCn1ncc(NC(=O)c2nc(-c3ccccc3F)ccc2N)c1N1CCC(N)C(F)CC1
InChIInChI=1S/C22H25F2N7O/c1-30-22(31-10-8-15(24)16(25)9-11-31)19(12-27-30)29-21(32)20-17(26)6-7-18(28-20)13-4-2-3-5-14(13)23/h2-7,12,15-16H,8-11,25-26H2,1H3,(H,29,32)
InChIKeyQSIQZITVOIMBTL-UHFFFAOYSA-N
XLogP2.72
TPSA115.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-amino-N-[5-(4-amino-5-fluoroazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide 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 3-amino-N-[5-(4-amino-5-fluoroazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[5-(4-amino-5-fluoroazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide (CID 74983153) is 3-amino-N-[5-(4-amino-5-fluoroazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[5-(4-amino-5-fluoroazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[5-(4-amino-5-fluoroazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide is Cn1ncc(NC(=O)c2nc(-c3ccccc3F)ccc2N)c1N1CCC(N)C(F)CC1.
What is the InChIKey of 3-amino-N-[5-(4-amino-5-fluoroazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is QSIQZITVOIMBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N7O/c1-30-22(31-10-8-15(24)16(25)9-11-31)19(12-27-30)29-21(32)20-17(26)6-7-18(28-20)13-4-2-3-5-14(13)23/h2-7,12,15-16H,8-11,25-26H2,1H3,(H,29,32).
What are the key properties of 3-amino-N-[5-(4-amino-5-fluoroazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide?
3-amino-N-[5-(4-amino-5-fluoroazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide has a molecular weight of 441.49 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-(4-amino-5-fluoroazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 74983153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).