N-[2-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-2-yl]-6-methylpyrimidin-4-yl]-1-methylpyrazole-3-carboxamide

C21H24FN7O — CID 175659834

IUPACN-[2-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-2-yl]-6-methylpyrimidin-4-yl]-1-methylpyrazole-3-carboxamide
SMILESCc1cc(NC(=O)c2ccn(C)n2)nc(C2CCCCN2Cc2ccc(F)cn2)n1
InChIInChI=1S/C21H24FN7O/c1-14-11-19(26-21(30)17-8-10-28(2)27-17)25-20(24-14)18-5-3-4-9-29(18)13-16-7-6-15(22)12-23-16/h6-8,10-12,18H,3-5,9,13H2,1-2H3,(H,24,25,26,30)
InChIKeyQWNJEVIBKCJLES-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.03
Rot. Bonds5

About N-[2-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-2-yl]-6-methylpyrimidin-4-yl]-1-methylpyrazole-3-carboxamide

N-[2-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-2-yl]-6-methylpyrimidin-4-yl]-1-methylpyrazole-3-carboxamide (PubChem CID 175659834) has the molecular formula C21H24FN7O and a molecular weight of 409.47 g/mol. Its IUPAC name is N-[2-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-2-yl]-6-methylpyrimidin-4-yl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-2-yl]-6-methylpyrimidin-4-yl]-1-methylpyrazole-3-carboxamide
PubChem CID175659834
Molecular FormulaC21H24FN7O
Molecular Weight409.47 g/mol
Exact Mass409.20
IUPAC NameN-[2-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-2-yl]-6-methylpyrimidin-4-yl]-1-methylpyrazole-3-carboxamide
SMILESCc1cc(NC(=O)c2ccn(C)n2)nc(C2CCCCN2Cc2ccc(F)cn2)n1
InChIInChI=1S/C21H24FN7O/c1-14-11-19(26-21(30)17-8-10-28(2)27-17)25-20(24-14)18-5-3-4-9-29(18)13-16-7-6-15(22)12-23-16/h6-8,10-12,18H,3-5,9,13H2,1-2H3,(H,24,25,26,30)
InChIKeyQWNJEVIBKCJLES-UHFFFAOYSA-N
XLogP3.03
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-2-yl]-6-methylpyrimidin-4-yl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-2-yl]-6-methylpyrimidin-4-yl]-1-methylpyrazole-3-carboxamide (CID 175659834) is N-[2-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-2-yl]-6-methylpyrimidin-4-yl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-2-yl]-6-methylpyrimidin-4-yl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-2-yl]-6-methylpyrimidin-4-yl]-1-methylpyrazole-3-carboxamide is Cc1cc(NC(=O)c2ccn(C)n2)nc(C2CCCCN2Cc2ccc(F)cn2)n1.
What is the InChIKey of N-[2-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-2-yl]-6-methylpyrimidin-4-yl]-1-methylpyrazole-3-carboxamide?
The InChIKey is QWNJEVIBKCJLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN7O/c1-14-11-19(26-21(30)17-8-10-28(2)27-17)25-20(24-14)18-5-3-4-9-29(18)13-16-7-6-15(22)12-23-16/h6-8,10-12,18H,3-5,9,13H2,1-2H3,(H,24,25,26,30).
What are the key properties of N-[2-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-2-yl]-6-methylpyrimidin-4-yl]-1-methylpyrazole-3-carboxamide?
N-[2-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-2-yl]-6-methylpyrimidin-4-yl]-1-methylpyrazole-3-carboxamide has a molecular weight of 409.47 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-2-yl]-6-methylpyrimidin-4-yl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 175659834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).