2-(6-chloro-3-pyridinyl)-N-(2-methoxy-4-pyridinyl)-4-(oxolan-3-yloxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C23H23ClN6O4 — CID 71699830

IUPAC2-(6-chloro-3-pyridinyl)-N-(2-methoxy-4-pyridinyl)-4-(oxolan-3-yloxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCOc1cc(NC(=O)N2CCc3nc(-c4ccc(Cl)nc4)nc(OC4CCOC4)c3C2)ccn1
InChIInChI=1S/C23H23ClN6O4/c1-32-20-10-15(4-7-25-20)27-23(31)30-8-5-18-17(12-30)22(34-16-6-9-33-13-16)29-21(28-18)14-2-3-19(24)26-11-14/h2-4,7,10-11,16H,5-6,8-9,12-13H2,1H3,(H,25,27,31)
InChIKeyOZPYHEOGSYUAKC-UHFFFAOYSA-N
MW482.93 g/mol
LogP3.35
Rot. Bonds5

About 2-(6-chloro-3-pyridinyl)-N-(2-methoxy-4-pyridinyl)-4-(oxolan-3-yloxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

2-(6-chloro-3-pyridinyl)-N-(2-methoxy-4-pyridinyl)-4-(oxolan-3-yloxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 71699830) has the molecular formula C23H23ClN6O4 and a molecular weight of 482.93 g/mol. Its IUPAC name is 2-(6-chloro-3-pyridinyl)-N-(2-methoxy-4-pyridinyl)-4-(oxolan-3-yloxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-(6-chloro-3-pyridinyl)-N-(2-methoxy-4-pyridinyl)-4-(oxolan-3-yloxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID71699830
Molecular FormulaC23H23ClN6O4
Molecular Weight482.93 g/mol
Exact Mass482.15
IUPAC Name2-(6-chloro-3-pyridinyl)-N-(2-methoxy-4-pyridinyl)-4-(oxolan-3-yloxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCOc1cc(NC(=O)N2CCc3nc(-c4ccc(Cl)nc4)nc(OC4CCOC4)c3C2)ccn1
InChIInChI=1S/C23H23ClN6O4/c1-32-20-10-15(4-7-25-20)27-23(31)30-8-5-18-17(12-30)22(34-16-6-9-33-13-16)29-21(28-18)14-2-3-19(24)26-11-14/h2-4,7,10-11,16H,5-6,8-9,12-13H2,1H3,(H,25,27,31)
InChIKeyOZPYHEOGSYUAKC-UHFFFAOYSA-N
XLogP3.35
TPSA111.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.93
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(6-chloro-3-pyridinyl)-N-(2-methoxy-4-pyridinyl)-4-(oxolan-3-yloxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-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 2-(6-chloro-3-pyridinyl)-N-(2-methoxy-4-pyridinyl)-4-(oxolan-3-yloxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-(6-chloro-3-pyridinyl)-N-(2-methoxy-4-pyridinyl)-4-(oxolan-3-yloxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 71699830) is 2-(6-chloro-3-pyridinyl)-N-(2-methoxy-4-pyridinyl)-4-(oxolan-3-yloxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-(6-chloro-3-pyridinyl)-N-(2-methoxy-4-pyridinyl)-4-(oxolan-3-yloxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-(6-chloro-3-pyridinyl)-N-(2-methoxy-4-pyridinyl)-4-(oxolan-3-yloxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is COc1cc(NC(=O)N2CCc3nc(-c4ccc(Cl)nc4)nc(OC4CCOC4)c3C2)ccn1.
What is the InChIKey of 2-(6-chloro-3-pyridinyl)-N-(2-methoxy-4-pyridinyl)-4-(oxolan-3-yloxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is OZPYHEOGSYUAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O4/c1-32-20-10-15(4-7-25-20)27-23(31)30-8-5-18-17(12-30)22(34-16-6-9-33-13-16)29-21(28-18)14-2-3-19(24)26-11-14/h2-4,7,10-11,16H,5-6,8-9,12-13H2,1H3,(H,25,27,31).
What are the key properties of 2-(6-chloro-3-pyridinyl)-N-(2-methoxy-4-pyridinyl)-4-(oxolan-3-yloxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
2-(6-chloro-3-pyridinyl)-N-(2-methoxy-4-pyridinyl)-4-(oxolan-3-yloxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 482.93 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-pyridinyl)-N-(2-methoxy-4-pyridinyl)-4-(oxolan-3-yloxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 71699830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).