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

C20H23FN8O — CID 53482432

IUPAC3-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyrazine-2-carboxamide
SMILESCn1ncc(NC(=O)c2nc(-c3ccccc3F)cnc2N)c1N1CCC[C@H](N)C1
InChIInChI=1S/C20H23FN8O/c1-28-20(29-8-4-5-12(22)11-29)16(10-25-28)27-19(30)17-18(23)24-9-15(26-17)13-6-2-3-7-14(13)21/h2-3,6-7,9-10,12H,4-5,8,11,22H2,1H3,(H2,23,24)(H,27,30)/t12-/m0/s1
InChIKeyDYXVMMFGWUCEJQ-LBPRGKRZSA-N
MW410.46 g/mol
LogP1.78
Rot. Bonds4

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

3-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyrazine-2-carboxamide (PubChem CID 53482432) has the molecular formula C20H23FN8O and a molecular weight of 410.46 g/mol. Its IUPAC name is 3-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyrazine-2-carboxamide
PubChem CID53482432
Molecular FormulaC20H23FN8O
Molecular Weight410.46 g/mol
Exact Mass410.20
IUPAC Name3-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyrazine-2-carboxamide
SMILESCn1ncc(NC(=O)c2nc(-c3ccccc3F)cnc2N)c1N1CCC[C@H](N)C1
InChIInChI=1S/C20H23FN8O/c1-28-20(29-8-4-5-12(22)11-29)16(10-25-28)27-19(30)17-18(23)24-9-15(26-17)13-6-2-3-7-14(13)21/h2-3,6-7,9-10,12H,4-5,8,11,22H2,1H3,(H2,23,24)(H,27,30)/t12-/m0/s1
InChIKeyDYXVMMFGWUCEJQ-LBPRGKRZSA-N
XLogP1.78
TPSA127.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyrazine-2-carboxamide (CID 53482432) is 3-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyrazine-2-carboxamide is Cn1ncc(NC(=O)c2nc(-c3ccccc3F)cnc2N)c1N1CCC[C@H](N)C1.
What is the InChIKey of 3-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyrazine-2-carboxamide?
The InChIKey is DYXVMMFGWUCEJQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H23FN8O/c1-28-20(29-8-4-5-12(22)11-29)16(10-25-28)27-19(30)17-18(23)24-9-15(26-17)13-6-2-3-7-14(13)21/h2-3,6-7,9-10,12H,4-5,8,11,22H2,1H3,(H2,23,24)(H,27,30)/t12-/m0/s1.
What are the key properties of 3-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyrazine-2-carboxamide?
3-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyrazine-2-carboxamide has a molecular weight of 410.46 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 53482432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).