3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide

C22H25FN8O2 — CID 118873199

IUPAC3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide
SMILESCOc1ccnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)c1F
InChIInChI=1S/C22H25FN8O2/c1-22(25)6-10-31(11-7-22)14-4-3-8-27-20(14)30-21(32)18-19(24)28-12-13(29-18)17-16(23)15(33-2)5-9-26-17/h3-5,8-9,12H,6-7,10-11,25H2,1-2H3,(H2,24,28)(H,27,30,32)
InChIKeyMZHAAXPSUZZVJO-UHFFFAOYSA-N
MW452.49 g/mol
LogP2.23
Rot. Bonds5

About 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide

3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide (PubChem CID 118873199) has the molecular formula C22H25FN8O2 and a molecular weight of 452.49 g/mol. Its IUPAC name is 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide
PubChem CID118873199
Molecular FormulaC22H25FN8O2
Molecular Weight452.49 g/mol
Exact Mass452.21
IUPAC Name3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide
SMILESCOc1ccnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)c1F
InChIInChI=1S/C22H25FN8O2/c1-22(25)6-10-31(11-7-22)14-4-3-8-27-20(14)30-21(32)18-19(24)28-12-13(29-18)17-16(23)15(33-2)5-9-26-17/h3-5,8-9,12H,6-7,10-11,25H2,1-2H3,(H2,24,28)(H,27,30,32)
InChIKeyMZHAAXPSUZZVJO-UHFFFAOYSA-N
XLogP2.23
TPSA145.17 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide (CID 118873199) is 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide is COc1ccnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)c1F.
What is the InChIKey of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide?
The InChIKey is MZHAAXPSUZZVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN8O2/c1-22(25)6-10-31(11-7-22)14-4-3-8-27-20(14)30-21(32)18-19(24)28-12-13(29-18)17-16(23)15(33-2)5-9-26-17/h3-5,8-9,12H,6-7,10-11,25H2,1-2H3,(H2,24,28)(H,27,30,32).
What are the key properties of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide?
3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide has a molecular weight of 452.49 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide is sourced from PubChem (CID 118873199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).