N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide

C18H17Cl2N5O2 — CID 135344477

IUPACN-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide
SMILESCOCCn1cc(C2CC2C(=O)Nc2cc3cc(Cl)nc(Cl)c3cn2)cn1
InChIInChI=1S/C18H17Cl2N5O2/c1-27-3-2-25-9-11(7-22-25)12-6-13(12)18(26)24-16-5-10-4-15(19)23-17(20)14(10)8-21-16/h4-5,7-9,12-13H,2-3,6H2,1H3,(H,21,24,26)
InChIKeyXTOVANNZBWANNY-UHFFFAOYSA-N
MW406.27 g/mol
LogP3.52
Rot. Bonds6

About N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide

N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide (PubChem CID 135344477) has the molecular formula C18H17Cl2N5O2 and a molecular weight of 406.27 g/mol. Its IUPAC name is N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide
PubChem CID135344477
Molecular FormulaC18H17Cl2N5O2
Molecular Weight406.27 g/mol
Exact Mass405.08
IUPAC NameN-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide
SMILESCOCCn1cc(C2CC2C(=O)Nc2cc3cc(Cl)nc(Cl)c3cn2)cn1
InChIInChI=1S/C18H17Cl2N5O2/c1-27-3-2-25-9-11(7-22-25)12-6-13(12)18(26)24-16-5-10-4-15(19)23-17(20)14(10)8-21-16/h4-5,7-9,12-13H,2-3,6H2,1H3,(H,21,24,26)
InChIKeyXTOVANNZBWANNY-UHFFFAOYSA-N
XLogP3.52
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.27
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2-methoxyethyl)pyrazol-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

Frequently Asked Questions

What is the IUPAC name of N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide?
The IUPAC name of N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide (CID 135344477) is N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide?
The canonical SMILES for N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide is COCCn1cc(C2CC2C(=O)Nc2cc3cc(Cl)nc(Cl)c3cn2)cn1.
What is the InChIKey of N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide?
The InChIKey is XTOVANNZBWANNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N5O2/c1-27-3-2-25-9-11(7-22-25)12-6-13(12)18(26)24-16-5-10-4-15(19)23-17(20)14(10)8-21-16/h4-5,7-9,12-13H,2-3,6H2,1H3,(H,21,24,26).
What are the key properties of N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide?
N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide has a molecular weight of 406.27 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 135344477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).