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

C22H26FN7O — CID 53482385

IUPAC3-amino-N-[5-(4-aminoazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide
SMILESCn1ncc(NC(=O)c2nc(-c3ccccc3F)ccc2N)c1N1CCCC(N)CC1
InChIInChI=1S/C22H26FN7O/c1-29-22(30-11-4-5-14(24)10-12-30)19(13-26-29)28-21(31)20-17(25)8-9-18(27-20)15-6-2-3-7-16(15)23/h2-3,6-9,13-14H,4-5,10-12,24-25H2,1H3,(H,28,31)
InChIKeyMZEDYGZPEWMQOQ-UHFFFAOYSA-N
MW423.50 g/mol
LogP2.77
Rot. Bonds4

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

3-amino-N-[5-(4-aminoazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide (PubChem CID 53482385) has the molecular formula C22H26FN7O and a molecular weight of 423.50 g/mol. Its IUPAC name is 3-amino-N-[5-(4-aminoazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[5-(4-aminoazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide
PubChem CID53482385
Molecular FormulaC22H26FN7O
Molecular Weight423.50 g/mol
Exact Mass423.22
IUPAC Name3-amino-N-[5-(4-aminoazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide
SMILESCn1ncc(NC(=O)c2nc(-c3ccccc3F)ccc2N)c1N1CCCC(N)CC1
InChIInChI=1S/C22H26FN7O/c1-29-22(30-11-4-5-14(24)10-12-30)19(13-26-29)28-21(31)20-17(25)8-9-18(27-20)15-6-2-3-7-16(15)23/h2-3,6-9,13-14H,4-5,10-12,24-25H2,1H3,(H,28,31)
InChIKeyMZEDYGZPEWMQOQ-UHFFFAOYSA-N
XLogP2.77
TPSA115.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N-[5-[(4S)-4-aminoazepan-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide
CID 53482604
3-amino-N-[5-[3-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide
CID 67437262
3-amino-N-[5-[(3S)-3-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide
CID 53482485
5-amino-N-[5-[(4R)-4-aminoazepan-1-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 53482603
5-amino-N-[5-[(4R)-4-aminoazepan-1-yl]-1-methylpyrazol-4-yl]-2-(2-fluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 58465102
5-amino-N-[5-(4-aminoazepan-1-yl)-1-cyclopropylpyrazol-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 67437382
5-amino-N-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 53482333
5-amino-N-[5-[(4S)-4-aminoazepan-1-yl]-1-methylpyrazol-4-yl]-2-(2-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 74983243
5-amino-2-(2-fluorophenyl)-N-[5-(4-hydroxy-4-methylazepan-1-yl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 58464757
5-amino-N-[5-[(4R)-4-aminoazepan-1-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 58465021
5-amino-N-[5-[(4S)-4-aminoazepan-1-yl]-1-methylpyrazol-4-yl]-2-(6-oxo-1H-pyridin-2-yl)-1,3-thiazole-4-carboxamide
CID 74983232
5-amino-N-[5-[(3R)-3-aminoazepan-1-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 53482781

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-(4-aminoazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[5-(4-aminoazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide (CID 53482385) is 3-amino-N-[5-(4-aminoazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[5-(4-aminoazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[5-(4-aminoazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide is Cn1ncc(NC(=O)c2nc(-c3ccccc3F)ccc2N)c1N1CCCC(N)CC1.
What is the InChIKey of 3-amino-N-[5-(4-aminoazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is MZEDYGZPEWMQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN7O/c1-29-22(30-11-4-5-14(24)10-12-30)19(13-26-29)28-21(31)20-17(25)8-9-18(27-20)15-6-2-3-7-16(15)23/h2-3,6-9,13-14H,4-5,10-12,24-25H2,1H3,(H,28,31).
What are the key properties of 3-amino-N-[5-(4-aminoazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide?
3-amino-N-[5-(4-aminoazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide has a molecular weight of 423.50 g/mol, XLogP of 2.77, 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-aminoazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 53482385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).