6-amino-N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-1,5-naphthyridine-4-carboxamide

C20H20F2N6O2 — CID 162464942

IUPAC6-amino-N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-1,5-naphthyridine-4-carboxamide
SMILESNc1ccc2nccc(C(=O)Nc3cn(C4CCC(C=O)CC4)nc3C(F)F)c2n1
InChIInChI=1S/C20H20F2N6O2/c21-19(22)18-15(9-28(27-18)12-3-1-11(10-29)2-4-12)25-20(30)13-7-8-24-14-5-6-16(23)26-17(13)14/h5-12,19H,1-4H2,(H2,23,26)(H,25,30)
InChIKeyMPRWQVSCQWNFBT-UHFFFAOYSA-N
MW414.42 g/mol
LogP3.53
Rot. Bonds5

About 6-amino-N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-1,5-naphthyridine-4-carboxamide

6-amino-N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-1,5-naphthyridine-4-carboxamide (PubChem CID 162464942) has the molecular formula C20H20F2N6O2 and a molecular weight of 414.42 g/mol. Its IUPAC name is 6-amino-N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-1,5-naphthyridine-4-carboxamide.

Molecular Properties

Compound Name6-amino-N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-1,5-naphthyridine-4-carboxamide
PubChem CID162464942
Molecular FormulaC20H20F2N6O2
Molecular Weight414.42 g/mol
Exact Mass414.16
IUPAC Name6-amino-N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-1,5-naphthyridine-4-carboxamide
SMILESNc1ccc2nccc(C(=O)Nc3cn(C4CCC(C=O)CC4)nc3C(F)F)c2n1
InChIInChI=1S/C20H20F2N6O2/c21-19(22)18-15(9-28(27-18)12-3-1-11(10-29)2-4-12)25-20(30)13-7-8-24-14-5-6-16(23)26-17(13)14/h5-12,19H,1-4H2,(H2,23,26)(H,25,30)
InChIKeyMPRWQVSCQWNFBT-UHFFFAOYSA-N
XLogP3.53
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 6-amino-N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-1,5-naphthyridine-4-carboxamide 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

5-amino-N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158632830
N-[3-(difluoromethyl)-1-[4-(hydroxymethyl)cyclohexyl]pyrazol-4-yl]-6-morpholin-4-yl-1,5-naphthyridine-4-carboxamide
CID 146599039
N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146599059
N-[3-(difluoromethyl)-1-(4-ethylcyclohexyl)pyrazol-4-yl]-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,5-naphthyridine-4-carboxamide
CID 156523920
N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 146599170
5-(cyclopropylmethylamino)-N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146599792
N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146599693
N-[3-(1-fluoroethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-5-methyl-1H-pyrazole-4-carboxamide
CID 166733638
N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 156823427
N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-5-(2,2-dimethylmorpholin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146598975
N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide;propane
CID 156823426
N-[1-cyclobutyl-3-(difluoromethyl)pyrazol-4-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;propane
CID 156823634

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-1,5-naphthyridine-4-carboxamide?
The IUPAC name of 6-amino-N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-1,5-naphthyridine-4-carboxamide (CID 162464942) is 6-amino-N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-1,5-naphthyridine-4-carboxamide.
What is the SMILES notation for 6-amino-N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-1,5-naphthyridine-4-carboxamide?
The canonical SMILES for 6-amino-N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-1,5-naphthyridine-4-carboxamide is Nc1ccc2nccc(C(=O)Nc3cn(C4CCC(C=O)CC4)nc3C(F)F)c2n1.
What is the InChIKey of 6-amino-N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-1,5-naphthyridine-4-carboxamide?
The InChIKey is MPRWQVSCQWNFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N6O2/c21-19(22)18-15(9-28(27-18)12-3-1-11(10-29)2-4-12)25-20(30)13-7-8-24-14-5-6-16(23)26-17(13)14/h5-12,19H,1-4H2,(H2,23,26)(H,25,30).
What are the key properties of 6-amino-N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-1,5-naphthyridine-4-carboxamide?
6-amino-N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-1,5-naphthyridine-4-carboxamide has a molecular weight of 414.42 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-1,5-naphthyridine-4-carboxamide is sourced from PubChem (CID 162464942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).