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

C20H22FN7O — CID 53482436

IUPAC3-amino-N-[5-[(3R)-3-aminopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide
SMILESCn1ncc(NC(=O)c2nc(-c3ccccc3F)ccc2N)c1N1CC[C@@H](N)C1
InChIInChI=1S/C20H22FN7O/c1-27-20(28-9-8-12(22)11-28)17(10-24-27)26-19(29)18-15(23)6-7-16(25-18)13-4-2-3-5-14(13)21/h2-7,10,12H,8-9,11,22-23H2,1H3,(H,26,29)/t12-/m1/s1
InChIKeyLNIXAFUYUNLOOW-GFCCVEGCSA-N
MW395.44 g/mol
LogP1.99
Rot. Bonds4

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

3-amino-N-[5-[(3R)-3-aminopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide (PubChem CID 53482436) has the molecular formula C20H22FN7O and a molecular weight of 395.44 g/mol. Its IUPAC name is 3-amino-N-[5-[(3R)-3-aminopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[5-[(3R)-3-aminopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide
PubChem CID53482436
Molecular FormulaC20H22FN7O
Molecular Weight395.44 g/mol
Exact Mass395.19
IUPAC Name3-amino-N-[5-[(3R)-3-aminopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide
SMILESCn1ncc(NC(=O)c2nc(-c3ccccc3F)ccc2N)c1N1CC[C@@H](N)C1
InChIInChI=1S/C20H22FN7O/c1-27-20(28-9-8-12(22)11-28)17(10-24-27)26-19(29)18-15(23)6-7-16(25-18)13-4-2-3-5-14(13)21/h2-7,10,12H,8-9,11,22-23H2,1H3,(H,26,29)/t12-/m1/s1
InChIKeyLNIXAFUYUNLOOW-GFCCVEGCSA-N
XLogP1.99
TPSA115.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 51.99
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-aminopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[5-[(3R)-3-aminopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide (CID 53482436) is 3-amino-N-[5-[(3R)-3-aminopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[5-[(3R)-3-aminopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[5-[(3R)-3-aminopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide is Cn1ncc(NC(=O)c2nc(-c3ccccc3F)ccc2N)c1N1CC[C@@H](N)C1.
What is the InChIKey of 3-amino-N-[5-[(3R)-3-aminopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is LNIXAFUYUNLOOW-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H22FN7O/c1-27-20(28-9-8-12(22)11-28)17(10-24-27)26-19(29)18-15(23)6-7-16(25-18)13-4-2-3-5-14(13)21/h2-7,10,12H,8-9,11,22-23H2,1H3,(H,26,29)/t12-/m1/s1.
What are the key properties of 3-amino-N-[5-[(3R)-3-aminopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide?
3-amino-N-[5-[(3R)-3-aminopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide has a molecular weight of 395.44 g/mol, XLogP of 1.99, 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-aminopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 53482436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).