4-[[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]carbamoyl]cyclohexane-1-carboxylic acid

C20H21N5O3 — CID 138588832

IUPAC4-[[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCn1cc(-c2cnc3cnc(NC(=O)C4CCC(C(=O)O)CC4)cc3c2)cn1
InChIInChI=1S/C20H21N5O3/c1-25-11-16(9-23-25)15-6-14-7-18(22-10-17(14)21-8-15)24-19(26)12-2-4-13(5-3-12)20(27)28/h6-13H,2-5H2,1H3,(H,27,28)(H,22,24,26)
InChIKeyLRJXMHWRJUBMMH-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.86
Rot. Bonds4

About 4-[[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]carbamoyl]cyclohexane-1-carboxylic acid

4-[[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 138588832) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 4-[[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID138588832
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name4-[[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCn1cc(-c2cnc3cnc(NC(=O)C4CCC(C(=O)O)CC4)cc3c2)cn1
InChIInChI=1S/C20H21N5O3/c1-25-11-16(9-23-25)15-6-14-7-18(22-10-17(14)21-8-15)24-19(26)12-2-4-13(5-3-12)20(27)28/h6-13H,2-5H2,1H3,(H,27,28)(H,22,24,26)
InChIKeyLRJXMHWRJUBMMH-UHFFFAOYSA-N
XLogP2.86
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]carbamoyl]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluoroethyl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide
CID 138587793
4-(2-methoxyethylamino)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxamide
CID 138591450
4-[[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 138591121
N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-1-(1,3-oxazol-2-ylmethyl)piperidine-4-carboxamide;molecular hydrogen
CID 142583654
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
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]-3-morpholin-4-ylpropanamide
CID 138591277
4-fluoro-1-(2-methylpropyl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide
CID 138590605
4-amino-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]cyclohexane-1-carboxamide
CID 138590409
2-(4-aminopiperidin-1-yl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide
CID 138587956
4-amino-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
CID 138587611

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]carbamoyl]cyclohexane-1-carboxylic acid (CID 138588832) is 4-[[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]carbamoyl]cyclohexane-1-carboxylic acid is Cn1cc(-c2cnc3cnc(NC(=O)C4CCC(C(=O)O)CC4)cc3c2)cn1.
What is the InChIKey of 4-[[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is LRJXMHWRJUBMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-25-11-16(9-23-25)15-6-14-7-18(22-10-17(14)21-8-15)24-19(26)12-2-4-13(5-3-12)20(27)28/h6-13H,2-5H2,1H3,(H,27,28)(H,22,24,26).
What are the key properties of 4-[[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]carbamoyl]cyclohexane-1-carboxylic acid?
4-[[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 379.42 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 138588832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).