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

C20H23FN6O — CID 138587793

IUPAC1-(2-fluoroethyl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide
SMILESCn1cc(-c2cnc3cnc(NC(=O)C4CCN(CCF)CC4)cc3c2)cn1
InChIInChI=1S/C20H23FN6O/c1-26-13-17(11-24-26)16-8-15-9-19(23-12-18(15)22-10-16)25-20(28)14-2-5-27(6-3-14)7-4-21/h8-14H,2-7H2,1H3,(H,23,25,28)
InChIKeyFBRPEXJDOGUAHV-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.65
Rot. Bonds5

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

1-(2-fluoroethyl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide (PubChem CID 138587793) has the molecular formula C20H23FN6O and a molecular weight of 382.44 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluoroethyl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide
PubChem CID138587793
Molecular FormulaC20H23FN6O
Molecular Weight382.44 g/mol
Exact Mass382.19
IUPAC Name1-(2-fluoroethyl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide
SMILESCn1cc(-c2cnc3cnc(NC(=O)C4CCN(CCF)CC4)cc3c2)cn1
InChIInChI=1S/C20H23FN6O/c1-26-13-17(11-24-26)16-8-15-9-19(23-12-18(15)22-10-16)25-20(28)14-2-5-27(6-3-14)7-4-21/h8-14H,2-7H2,1H3,(H,23,25,28)
InChIKeyFBRPEXJDOGUAHV-UHFFFAOYSA-N
XLogP2.65
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 138588832
N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-1-(1,3-oxazol-2-ylmethyl)piperidine-4-carboxamide;molecular hydrogen
CID 142583654
4-(2-methoxyethylamino)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxamide
CID 138591450
N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-3-morpholin-4-ylpropanamide
CID 138591277
1-butyl-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-4-carboxamide
CID 138586873
2-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]acetamide
CID 138589815
4-fluoro-1-(2-methylpropyl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide
CID 138590605
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]acetamide
CID 138588974
N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-2-pyridin-4-ylacetamide
CID 138590612
1-(2-fluoroethyl)-N-(6-pyrazin-2-ylisoquinolin-3-yl)piperidine-4-carboxamide
CID 138586292
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1-(2-propan-2-yloxyethyl)piperidine-4-carboxamide
CID 138587776
N-[1-(2-fluoroethyl)-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]piperidine-4-carboxamide
CID 140816424

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-fluoroethyl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide (CID 138587793) is 1-(2-fluoroethyl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-fluoroethyl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-fluoroethyl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide is Cn1cc(-c2cnc3cnc(NC(=O)C4CCN(CCF)CC4)cc3c2)cn1.
What is the InChIKey of 1-(2-fluoroethyl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide?
The InChIKey is FBRPEXJDOGUAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O/c1-26-13-17(11-24-26)16-8-15-9-19(23-12-18(15)22-10-16)25-20(28)14-2-5-27(6-3-14)7-4-21/h8-14H,2-7H2,1H3,(H,23,25,28).
What are the key properties of 1-(2-fluoroethyl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide?
1-(2-fluoroethyl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide has a molecular weight of 382.44 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide is sourced from PubChem (CID 138587793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).