4,4-difluoro-N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide

C24H27F2N7O — CID 138590652

IUPAC4,4-difluoro-N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
SMILESO=C(Nc1cc2cc(-c3cncc(NC4CCNCC4)n3)ncc2cn1)C1CCC(F)(F)CC1
InChIInChI=1S/C24H27F2N7O/c25-24(26)5-1-15(2-6-24)23(34)33-21-10-16-9-19(29-11-17(16)12-30-21)20-13-28-14-22(32-20)31-18-3-7-27-8-4-18/h9-15,18,27H,1-8H2,(H,31,32)(H,30,33,34)
InChIKeyAKUKBDCGPYWXGK-UHFFFAOYSA-N
MW467.52 g/mol
LogP4.01
Rot. Bonds5

About 4,4-difluoro-N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide

4,4-difluoro-N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide (PubChem CID 138590652) has the molecular formula C24H27F2N7O and a molecular weight of 467.52 g/mol. Its IUPAC name is 4,4-difluoro-N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
PubChem CID138590652
Molecular FormulaC24H27F2N7O
Molecular Weight467.52 g/mol
Exact Mass467.22
IUPAC Name4,4-difluoro-N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
SMILESO=C(Nc1cc2cc(-c3cncc(NC4CCNCC4)n3)ncc2cn1)C1CCC(F)(F)CC1
InChIInChI=1S/C24H27F2N7O/c25-24(26)5-1-15(2-6-24)23(34)33-21-10-16-9-19(29-11-17(16)12-30-21)20-13-28-14-22(32-20)31-18-3-7-27-8-4-18/h9-15,18,27H,1-8H2,(H,31,32)(H,30,33,34)
InChIKeyAKUKBDCGPYWXGK-UHFFFAOYSA-N
XLogP4.01
TPSA104.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide (CID 138590652) is 4,4-difluoro-N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide is O=C(Nc1cc2cc(-c3cncc(NC4CCNCC4)n3)ncc2cn1)C1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide?
The InChIKey is AKUKBDCGPYWXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N7O/c25-24(26)5-1-15(2-6-24)23(34)33-21-10-16-9-19(29-11-17(16)12-30-21)20-13-28-14-22(32-20)31-18-3-7-27-8-4-18/h9-15,18,27H,1-8H2,(H,31,32)(H,30,33,34).
What are the key properties of 4,4-difluoro-N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide?
4,4-difluoro-N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide has a molecular weight of 467.52 g/mol, XLogP of 4.01, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 138590652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).