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

C16H13Cl2N5O — CID 135344476

IUPACtrans-(1R,2R)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCn1cc([C@@H]2C[C@H]2C(=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)/t10-,11+/m0/s1
InChIKeyWTBINHQCRQCSCD-WDEREUQCSA-N
MW362.22 g/mol
LogP3.41
Rot. Bonds3

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

trans-(1R,2R)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 135344476) has the molecular formula C16H13Cl2N5O and a molecular weight of 362.22 g/mol. Its IUPAC name is trans-(1R,2R)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID135344476
Molecular FormulaC16H13Cl2N5O
Molecular Weight362.22 g/mol
Exact Mass361.05
IUPAC Nametrans-(1R,2R)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCn1cc([C@@H]2C[C@H]2C(=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)/t10-,11+/m0/s1
InChIKeyWTBINHQCRQCSCD-WDEREUQCSA-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 trans-(1R,2R)-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

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 135344476) is trans-(1R,2R)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is Cn1cc([C@@H]2C[C@H]2C(=O)Nc2cc3cc(Cl)nc(Cl)c3cn2)cn1.
What is the InChIKey of trans-(1R,2R)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is WTBINHQCRQCSCD-WDEREUQCSA-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)/t10-,11+/m0/s1.
What are the key properties of trans-(1R,2R)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
trans-(1R,2R)-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 trans-(1R,2R)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 135344476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).