1-(2-fluoropropyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide

C21H25FN6O — CID 138586986

IUPAC1-(2-fluoropropyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide
SMILESCC(F)CN1CCC(C(=O)Nc2cc3nc(-c4cnn(C)c4)ccc3cn2)CC1
InChIInChI=1S/C21H25FN6O/c1-14(22)12-28-7-5-15(6-8-28)21(29)26-20-9-19-16(10-23-20)3-4-18(25-19)17-11-24-27(2)13-17/h3-4,9-11,13-15H,5-8,12H2,1-2H3,(H,23,26,29)
InChIKeyXCLBJSLCACTXNG-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.04
Rot. Bonds5

About 1-(2-fluoropropyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide

1-(2-fluoropropyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide (PubChem CID 138586986) has the molecular formula C21H25FN6O and a molecular weight of 396.47 g/mol. Its IUPAC name is 1-(2-fluoropropyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluoropropyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide
PubChem CID138586986
Molecular FormulaC21H25FN6O
Molecular Weight396.47 g/mol
Exact Mass396.21
IUPAC Name1-(2-fluoropropyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide
SMILESCC(F)CN1CCC(C(=O)Nc2cc3nc(-c4cnn(C)c4)ccc3cn2)CC1
InChIInChI=1S/C21H25FN6O/c1-14(22)12-28-7-5-15(6-8-28)21(29)26-20-9-19-16(10-23-20)3-4-18(25-19)17-11-24-27(2)13-17/h3-4,9-11,13-15H,5-8,12H2,1-2H3,(H,23,26,29)
InChIKeyXCLBJSLCACTXNG-UHFFFAOYSA-N
XLogP3.04
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(hydroxymethyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide
CID 138590394
1-(2-methylpropyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-3-carboxamide
CID 138588767
2-[4-(difluoromethyl)piperidin-1-yl]-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
CID 138588097
2-(4-hydroxypiperidin-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
CID 138590290
2-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
CID 138589895
1-(2-methylpropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]azepane-4-carboxamide
CID 138588754
N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-2-carboxamide
CID 138589589
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1,6-naphthyridin-7-yl]-1-(2-methylpropyl)piperidine-4-carboxamide
CID 138588276
1-(1-ethylpiperidin-4-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]pyrazole-4-carboxamide
CID 138591491
2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
CID 138589540
4,4-difluoro-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide
CID 138588625
N-[2-(2-methylpyrazol-3-yl)-1,6-naphthyridin-7-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
CID 138587815

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoropropyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-fluoropropyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide (CID 138586986) is 1-(2-fluoropropyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-fluoropropyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-fluoropropyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide is CC(F)CN1CCC(C(=O)Nc2cc3nc(-c4cnn(C)c4)ccc3cn2)CC1.
What is the InChIKey of 1-(2-fluoropropyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide?
The InChIKey is XCLBJSLCACTXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6O/c1-14(22)12-28-7-5-15(6-8-28)21(29)26-20-9-19-16(10-23-20)3-4-18(25-19)17-11-24-27(2)13-17/h3-4,9-11,13-15H,5-8,12H2,1-2H3,(H,23,26,29).
What are the key properties of 1-(2-fluoropropyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide?
1-(2-fluoropropyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoropropyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide is sourced from PubChem (CID 138586986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).