N-[8-amino-6-[2-(cyanomethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]formamide;4-cyclopropyl-1-methylpyrazole

C25H25N7O — CID 142447426

IUPACN-[8-amino-6-[2-(cyanomethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]formamide;4-cyclopropyl-1-methylpyrazole
SMILESCc1cccc(CC#N)c1-c1cc2cc(NC=O)ncc2c(N)n1.Cn1cc(C2CC2)cn1
InChIInChI=1S/C18H15N5O.C7H10N2/c1-11-3-2-4-12(5-6-19)17(11)15-7-13-8-16(22-10-24)21-9-14(13)18(20)23-15;1-9-5-7(4-8-9)6-2-3-6/h2-4,7-10H,5H2,1H3,(H2,20,23)(H,21,22,24);4-6H,2-3H2,1H3
InChIKeyXBNYECKCFCBIMQ-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.12
Rot. Bonds5

About N-[8-amino-6-[2-(cyanomethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]formamide;4-cyclopropyl-1-methylpyrazole

N-[8-amino-6-[2-(cyanomethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]formamide;4-cyclopropyl-1-methylpyrazole (PubChem CID 142447426) has the molecular formula C25H25N7O and a molecular weight of 439.52 g/mol. Its IUPAC name is N-[8-amino-6-[2-(cyanomethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]formamide;4-cyclopropyl-1-methylpyrazole.

Molecular Properties

Compound NameN-[8-amino-6-[2-(cyanomethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]formamide;4-cyclopropyl-1-methylpyrazole
PubChem CID142447426
Molecular FormulaC25H25N7O
Molecular Weight439.52 g/mol
Exact Mass439.21
IUPAC NameN-[8-amino-6-[2-(cyanomethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]formamide;4-cyclopropyl-1-methylpyrazole
SMILESCc1cccc(CC#N)c1-c1cc2cc(NC=O)ncc2c(N)n1.Cn1cc(C2CC2)cn1
InChIInChI=1S/C18H15N5O.C7H10N2/c1-11-3-2-4-12(5-6-19)17(11)15-7-13-8-16(22-10-24)21-9-14(13)18(20)23-15;1-9-5-7(4-8-9)6-2-3-6/h2-4,7-10H,5H2,1H3,(H2,20,23)(H,21,22,24);4-6H,2-3H2,1H3
InChIKeyXBNYECKCFCBIMQ-UHFFFAOYSA-N
XLogP4.12
TPSA122.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[8-amino-6-[2-(cyanomethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]formamide;4-cyclopropyl-1-methylpyrazole 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

(1S,2R,3S)-N-[8-amino-6-(2-fluoro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 135344646
4-(1-amino-6-formamido-2,7-naphthyridin-3-yl)-N,1,3,5-tetramethylpyrrole-2-carboxamide;cyclopropanecarbonitrile
CID 142447453
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]formamide;cyclopropane
CID 142447667
trans-(1R,2R)-N-[8-amino-6-(2-chloro-6-fluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-chloro-6-fluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 159778719
cis-(1S,2R)-N-[8-amino-6-(2-fluoro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide
CID 135345456
trans-(1S,2S)-N-[8-amino-6-(2-benzyl-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 139468977
N-[8-amino-6-(2-chloro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide
CID 135344570
N-[8-amino-6-[4-methyl-5-(methylamino)-3-pyridinyl]-2,7-naphthyridin-3-yl]formamide;cyclopropane
CID 142447705
trans-(1S,2S)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 157256552
cis-(1R,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide
CID 135344871
N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide
CID 135344868
N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 158576696

Frequently Asked Questions

What is the IUPAC name of N-[8-amino-6-[2-(cyanomethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]formamide;4-cyclopropyl-1-methylpyrazole?
The IUPAC name of N-[8-amino-6-[2-(cyanomethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]formamide;4-cyclopropyl-1-methylpyrazole (CID 142447426) is N-[8-amino-6-[2-(cyanomethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]formamide;4-cyclopropyl-1-methylpyrazole.
What is the SMILES notation for N-[8-amino-6-[2-(cyanomethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]formamide;4-cyclopropyl-1-methylpyrazole?
The canonical SMILES for N-[8-amino-6-[2-(cyanomethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]formamide;4-cyclopropyl-1-methylpyrazole is Cc1cccc(CC#N)c1-c1cc2cc(NC=O)ncc2c(N)n1.Cn1cc(C2CC2)cn1.
What is the InChIKey of N-[8-amino-6-[2-(cyanomethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]formamide;4-cyclopropyl-1-methylpyrazole?
The InChIKey is XBNYECKCFCBIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O.C7H10N2/c1-11-3-2-4-12(5-6-19)17(11)15-7-13-8-16(22-10-24)21-9-14(13)18(20)23-15;1-9-5-7(4-8-9)6-2-3-6/h2-4,7-10H,5H2,1H3,(H2,20,23)(H,21,22,24);4-6H,2-3H2,1H3.
What are the key properties of N-[8-amino-6-[2-(cyanomethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]formamide;4-cyclopropyl-1-methylpyrazole?
N-[8-amino-6-[2-(cyanomethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]formamide;4-cyclopropyl-1-methylpyrazole has a molecular weight of 439.52 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-amino-6-[2-(cyanomethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]formamide;4-cyclopropyl-1-methylpyrazole is sourced from PubChem (CID 142447426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).