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

C22H25FN8O2 — CID 118873191

IUPAC3-amino-N-[3-[4-amino-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide
SMILESCOCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3F)cnc2N)CC1
InChIInChI=1S/C22H25FN8O2/c1-33-13-22(25)6-10-31(11-7-22)16-5-3-9-27-20(16)30-21(32)18-19(24)28-12-15(29-18)17-14(23)4-2-8-26-17/h2-5,8-9,12H,6-7,10-11,13,25H2,1H3,(H2,24,28)(H,27,30,32)
InChIKeyUZGZCPNOEILBMK-UHFFFAOYSA-N
MW452.49 g/mol
LogP1.85
Rot. Bonds6

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

3-amino-N-[3-[4-amino-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide (PubChem CID 118873191) 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-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-[4-amino-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide
PubChem CID118873191
Molecular FormulaC22H25FN8O2
Molecular Weight452.49 g/mol
Exact Mass452.21
IUPAC Name3-amino-N-[3-[4-amino-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide
SMILESCOCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3F)cnc2N)CC1
InChIInChI=1S/C22H25FN8O2/c1-33-13-22(25)6-10-31(11-7-22)16-5-3-9-27-20(16)30-21(32)18-19(24)28-12-15(29-18)17-14(23)4-2-8-26-17/h2-5,8-9,12H,6-7,10-11,13,25H2,1H3,(H2,24,28)(H,27,30,32)
InChIKeyUZGZCPNOEILBMK-UHFFFAOYSA-N
XLogP1.85
TPSA145.17 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 51.85
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-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-[4-amino-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide (CID 118873191) is 3-amino-N-[3-[4-amino-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-[4-amino-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-[4-amino-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide is COCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3F)cnc2N)CC1.
What is the InChIKey of 3-amino-N-[3-[4-amino-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide?
The InChIKey is UZGZCPNOEILBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN8O2/c1-33-13-22(25)6-10-31(11-7-22)16-5-3-9-27-20(16)30-21(32)18-19(24)28-12-15(29-18)17-14(23)4-2-8-26-17/h2-5,8-9,12H,6-7,10-11,13,25H2,1H3,(H2,24,28)(H,27,30,32).
What are the key properties of 3-amino-N-[3-[4-amino-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide?
3-amino-N-[3-[4-amino-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide has a molecular weight of 452.49 g/mol, XLogP of 1.85, 6 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-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide is sourced from PubChem (CID 118873191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).