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

C22H26FN7O — CID 53482486

IUPAC3-amino-N-[5-[(3R)-3-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide
SMILESCn1ncc(NC(=O)c2nc(-c3ccccc3F)ccc2N)c1N1CCC[C@H](CN)C1
InChIInChI=1S/C22H26FN7O/c1-29-22(30-10-4-5-14(11-24)13-30)19(12-26-29)28-21(31)20-17(25)8-9-18(27-20)15-6-2-3-7-16(15)23/h2-3,6-9,12,14H,4-5,10-11,13,24-25H2,1H3,(H,28,31)/t14-/m1/s1
InChIKeyVJXUXTWQBIILQL-CQSZACIVSA-N
MW423.50 g/mol
LogP2.63
Rot. Bonds5

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

3-amino-N-[5-[(3R)-3-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide (PubChem CID 53482486) has the molecular formula C22H26FN7O and a molecular weight of 423.50 g/mol. Its IUPAC name is 3-amino-N-[5-[(3R)-3-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[5-[(3R)-3-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide
PubChem CID53482486
Molecular FormulaC22H26FN7O
Molecular Weight423.50 g/mol
Exact Mass423.22
IUPAC Name3-amino-N-[5-[(3R)-3-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide
SMILESCn1ncc(NC(=O)c2nc(-c3ccccc3F)ccc2N)c1N1CCC[C@H](CN)C1
InChIInChI=1S/C22H26FN7O/c1-29-22(30-10-4-5-14(11-24)13-30)19(12-26-29)28-21(31)20-17(25)8-9-18(27-20)15-6-2-3-7-16(15)23/h2-3,6-9,12,14H,4-5,10-11,13,24-25H2,1H3,(H,28,31)/t14-/m1/s1
InChIKeyVJXUXTWQBIILQL-CQSZACIVSA-N
XLogP2.63
TPSA115.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 52.63
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-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[5-[(3R)-3-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide (CID 53482486) is 3-amino-N-[5-[(3R)-3-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[5-[(3R)-3-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[5-[(3R)-3-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide is Cn1ncc(NC(=O)c2nc(-c3ccccc3F)ccc2N)c1N1CCC[C@H](CN)C1.
What is the InChIKey of 3-amino-N-[5-[(3R)-3-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is VJXUXTWQBIILQL-CQSZACIVSA-N. The full InChI is InChI=1S/C22H26FN7O/c1-29-22(30-10-4-5-14(11-24)13-30)19(12-26-29)28-21(31)20-17(25)8-9-18(27-20)15-6-2-3-7-16(15)23/h2-3,6-9,12,14H,4-5,10-11,13,24-25H2,1H3,(H,28,31)/t14-/m1/s1.
What are the key properties of 3-amino-N-[5-[(3R)-3-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide?
3-amino-N-[5-[(3R)-3-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide has a molecular weight of 423.50 g/mol, XLogP of 2.63, 5 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-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 53482486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).