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

C22H27FN6O — CID 138590605

IUPAC4-fluoro-1-(2-methylpropyl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide
SMILESCC(C)CN1CCC(F)(C(=O)Nc2cc3cc(-c4cnn(C)c4)cnc3cn2)CC1
InChIInChI=1S/C22H27FN6O/c1-15(2)13-29-6-4-22(23,5-7-29)21(30)27-20-9-16-8-17(10-24-19(16)12-25-20)18-11-26-28(3)14-18/h8-12,14-15H,4-7,13H2,1-3H3,(H,25,27,30)
InChIKeyGICXAGPYHAUWAA-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.43
Rot. Bonds5

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

4-fluoro-1-(2-methylpropyl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide (PubChem CID 138590605) has the molecular formula C22H27FN6O and a molecular weight of 410.50 g/mol. Its IUPAC name is 4-fluoro-1-(2-methylpropyl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-fluoro-1-(2-methylpropyl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide
PubChem CID138590605
Molecular FormulaC22H27FN6O
Molecular Weight410.50 g/mol
Exact Mass410.22
IUPAC Name4-fluoro-1-(2-methylpropyl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide
SMILESCC(C)CN1CCC(F)(C(=O)Nc2cc3cc(-c4cnn(C)c4)cnc3cn2)CC1
InChIInChI=1S/C22H27FN6O/c1-15(2)13-29-6-4-22(23,5-7-29)21(30)27-20-9-16-8-17(10-24-19(16)12-25-20)18-11-26-28(3)14-18/h8-12,14-15H,4-7,13H2,1-3H3,(H,25,27,30)
InChIKeyGICXAGPYHAUWAA-UHFFFAOYSA-N
XLogP3.43
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-1-(2-methylpropyl)-N-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide
CID 138588494
1-(2-fluoroethyl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide
CID 138587793
(2S)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-2-morpholin-4-ylpropanamide
CID 138589378
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]-3-morpholin-4-ylpropanamide
CID 138591277
1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone
CID 149206774
2-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]acetamide
CID 138589815
N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-2-pyridin-4-ylacetamide
CID 138590612
N-[1-[3-fluoro-1-(2-methylpropyl)azetidin-3-yl]ethenyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine
CID 166954663
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]acetamide
CID 138588974
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]-1-(1,3-oxazol-2-ylmethyl)piperidine-4-carboxamide;molecular hydrogen
CID 142583654

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(2-methylpropyl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide?
The IUPAC name of 4-fluoro-1-(2-methylpropyl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide (CID 138590605) is 4-fluoro-1-(2-methylpropyl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide.
What is the SMILES notation for 4-fluoro-1-(2-methylpropyl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide?
The canonical SMILES for 4-fluoro-1-(2-methylpropyl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide is CC(C)CN1CCC(F)(C(=O)Nc2cc3cc(-c4cnn(C)c4)cnc3cn2)CC1.
What is the InChIKey of 4-fluoro-1-(2-methylpropyl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide?
The InChIKey is GICXAGPYHAUWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN6O/c1-15(2)13-29-6-4-22(23,5-7-29)21(30)27-20-9-16-8-17(10-24-19(16)12-25-20)18-11-26-28(3)14-18/h8-12,14-15H,4-7,13H2,1-3H3,(H,25,27,30).
What are the key properties of 4-fluoro-1-(2-methylpropyl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide?
4-fluoro-1-(2-methylpropyl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(2-methylpropyl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide is sourced from PubChem (CID 138590605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).