N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

C16H13Cl2N5O — CID 135344473

IUPACN-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCn1cc(C2CC2C(=O)Nc2cc3cc(Cl)nc(Cl)c3cn2)cn1
InChIInChI=1S/C16H13Cl2N5O/c1-23-7-9(5-20-23)10-4-11(10)16(24)22-14-3-8-2-13(17)21-15(18)12(8)6-19-14/h2-3,5-7,10-11H,4H2,1H3,(H,19,22,24)
InChIKeyWTBINHQCRQCSCD-UHFFFAOYSA-N
MW362.22 g/mol
LogP3.41
Rot. Bonds3

About N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 135344473) has the molecular formula C16H13Cl2N5O and a molecular weight of 362.22 g/mol. Its IUPAC name is N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID135344473
Molecular FormulaC16H13Cl2N5O
Molecular Weight362.22 g/mol
Exact Mass361.05
IUPAC NameN-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCn1cc(C2CC2C(=O)Nc2cc3cc(Cl)nc(Cl)c3cn2)cn1
InChIInChI=1S/C16H13Cl2N5O/c1-23-7-9(5-20-23)10-4-11(10)16(24)22-14-3-8-2-13(17)21-15(18)12(8)6-19-14/h2-3,5-7,10-11H,4H2,1H3,(H,19,22,24)
InChIKeyWTBINHQCRQCSCD-UHFFFAOYSA-N
XLogP3.41
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-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

N-(2-(2,6-dichlorophenyl)-2H-pyrazolo[4,3-c]pyridin-4-yl)cyclopropanecarboxamide
CID 69671224
N-[7-(5-fluoro-2-methylphenyl)-5-(1-methylpyrazol-4-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 71115257
trans-(1R,2R)-N-[8-amino-6-(2-chloro-6-fluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 135344459
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 135344832
trans-(1S,2S)-N-[8-amino-6-(2,6-difluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 135344914
trans-N-(8-amino-6-(5-fluoro-2-methylphenyl)-2,7-naphthyridin-3-yl)-2-(1-methyl-1H-pyrazol-4-yl)cyclopropanecarboxamide
CID 139468549
N-(2-(1H-pyrazol-1-yl)-3,4''-bipyridin-6-yl)cyclopropanecarboxamide
CID 46880473
N-[7-(1-methylpyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 57410358
(1R,2R)-N-(8-amino-6-(2-fluoro-6-methylphenyl)-2,7-naphthyridin-3-yl)-2-(1-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 135344401
trans-(1R,2R)-N-[8-amino-6-(2,6-difluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 135344450
(1R,2S,3R)-N-(8-amino-6-(2-fluoro-6-methylphenyl)-2,7-naphthyridin-3-yl)-2-methyl-3-(1-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 135344497
(1S,2S)-N-(8-amino-6-(1-methyl-1H-pyrazol-5-yl)-2,7-naphthyridin-3-yl)-2-fluorocyclopropanecarboxamide
CID 135344656

Frequently Asked Questions

What is the IUPAC name of N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 135344473) is N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is Cn1cc(C2CC2C(=O)Nc2cc3cc(Cl)nc(Cl)c3cn2)cn1.
What is the InChIKey of N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is WTBINHQCRQCSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N5O/c1-23-7-9(5-20-23)10-4-11(10)16(24)22-14-3-8-2-13(17)21-15(18)12(8)6-19-14/h2-3,5-7,10-11H,4H2,1H3,(H,19,22,24).
What are the key properties of N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 362.22 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 135344473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).