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

C19H19F2N5O — CID 138591258

IUPAC4,4-difluoro-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
SMILESCn1cc(-c2cc3cc(NC(=O)C4CCC(F)(F)CC4)ncc3cn2)cn1
InChIInChI=1S/C19H19F2N5O/c1-26-11-15(10-24-26)16-6-13-7-17(23-9-14(13)8-22-16)25-18(27)12-2-4-19(20,21)5-3-12/h6-12H,2-5H2,1H3,(H,23,25,27)
InChIKeyFAVVODQTEJUPRC-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.79
Rot. Bonds3

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

4,4-difluoro-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide (PubChem CID 138591258) has the molecular formula C19H19F2N5O and a molecular weight of 371.39 g/mol. Its IUPAC name is 4,4-difluoro-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
PubChem CID138591258
Molecular FormulaC19H19F2N5O
Molecular Weight371.39 g/mol
Exact Mass371.16
IUPAC Name4,4-difluoro-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
SMILESCn1cc(-c2cc3cc(NC(=O)C4CCC(F)(F)CC4)ncc3cn2)cn1
InChIInChI=1S/C19H19F2N5O/c1-26-11-15(10-24-26)16-6-13-7-17(23-9-14(13)8-22-16)25-18(27)12-2-4-19(20,21)5-3-12/h6-12H,2-5H2,1H3,(H,23,25,27)
InChIKeyFAVVODQTEJUPRC-UHFFFAOYSA-N
XLogP3.79
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
CID 138587611
4-(dimethylamino)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
CID 138586982
4-[(3-fluoroazetidin-1-yl)methyl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
CID 138588253
1-(2-methylpropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]azepane-4-carboxamide
CID 138588754
1-(2-methylpropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-3-carboxamide
CID 138587966
tert-butyl N-[4-[[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]carbamoyl]cyclohexyl]carbamate
CID 138605024
1-(benzenesulfonyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide
CID 138589903
3-methyl-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 138588848
2-(3-fluoropyrrolidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide
CID 138588734
N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-[(2R)-2-methylpyrrolidin-1-yl]acetamide
CID 138587844
2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide
CID 138591471
1-methyl-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]indazole-5-carboxamide
CID 138590174

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide (CID 138591258) is 4,4-difluoro-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide is Cn1cc(-c2cc3cc(NC(=O)C4CCC(F)(F)CC4)ncc3cn2)cn1.
What is the InChIKey of 4,4-difluoro-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide?
The InChIKey is FAVVODQTEJUPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O/c1-26-11-15(10-24-26)16-6-13-7-17(23-9-14(13)8-22-16)25-18(27)12-2-4-19(20,21)5-3-12/h6-12H,2-5H2,1H3,(H,23,25,27).
What are the key properties of 4,4-difluoro-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide?
4,4-difluoro-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide has a molecular weight of 371.39 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 138591258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).