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

C21H24FN7O — CID 53482337

IUPAC3-amino-N-[5-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide
SMILESCn1ncc(NC(=O)c2nc(-c3ccccc3F)ccc2N)c1N1CCC[C@@H](N)C1
InChIInChI=1S/C21H24FN7O/c1-28-21(29-10-4-5-13(23)12-29)18(11-25-28)27-20(30)19-16(24)8-9-17(26-19)14-6-2-3-7-15(14)22/h2-3,6-9,11,13H,4-5,10,12,23-24H2,1H3,(H,27,30)/t13-/m1/s1
InChIKeyQVLHMFIFIGHQBW-CYBMUJFWSA-N
MW409.47 g/mol
LogP2.38
Rot. Bonds4

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

3-amino-N-[5-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide (PubChem CID 53482337) has the molecular formula C21H24FN7O and a molecular weight of 409.47 g/mol. Its IUPAC name is 3-amino-N-[5-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[5-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide
PubChem CID53482337
Molecular FormulaC21H24FN7O
Molecular Weight409.47 g/mol
Exact Mass409.20
IUPAC Name3-amino-N-[5-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide
SMILESCn1ncc(NC(=O)c2nc(-c3ccccc3F)ccc2N)c1N1CCC[C@@H](N)C1
InChIInChI=1S/C21H24FN7O/c1-28-21(29-10-4-5-13(23)12-29)18(11-25-28)27-20(30)19-16(24)8-9-17(26-19)14-6-2-3-7-15(14)22/h2-3,6-9,11,13H,4-5,10,12,23-24H2,1H3,(H,27,30)/t13-/m1/s1
InChIKeyQVLHMFIFIGHQBW-CYBMUJFWSA-N
XLogP2.38
TPSA115.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[5-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide (CID 53482337) is 3-amino-N-[5-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[5-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[5-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide is Cn1ncc(NC(=O)c2nc(-c3ccccc3F)ccc2N)c1N1CCC[C@@H](N)C1.
What is the InChIKey of 3-amino-N-[5-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is QVLHMFIFIGHQBW-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H24FN7O/c1-28-21(29-10-4-5-13(23)12-29)18(11-25-28)27-20(30)19-16(24)8-9-17(26-19)14-6-2-3-7-15(14)22/h2-3,6-9,11,13H,4-5,10,12,23-24H2,1H3,(H,27,30)/t13-/m1/s1.
What are the key properties of 3-amino-N-[5-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide?
3-amino-N-[5-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide has a molecular weight of 409.47 g/mol, XLogP of 2.38, 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-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 53482337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).