2-(6-chloro-3-pyridinyl)-N-methyl-4-propan-2-yloxy-N-(1H-pyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C20H22ClN7O2 — CID 71455795

IUPAC2-(6-chloro-3-pyridinyl)-N-methyl-4-propan-2-yloxy-N-(1H-pyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCC(C)Oc1nc(-c2ccc(Cl)nc2)nc2c1CN(C(=O)N(C)c1cn[nH]c1)CC2
InChIInChI=1S/C20H22ClN7O2/c1-12(2)30-19-15-11-28(20(29)27(3)14-9-23-24-10-14)7-6-16(15)25-18(26-19)13-4-5-17(21)22-8-13/h4-5,8-10,12H,6-7,11H2,1-3H3,(H,23,24)
InChIKeyHUDAVWQNVFDFNL-UHFFFAOYSA-N
MW427.90 g/mol
LogP3.32
Rot. Bonds4

About 2-(6-chloro-3-pyridinyl)-N-methyl-4-propan-2-yloxy-N-(1H-pyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

2-(6-chloro-3-pyridinyl)-N-methyl-4-propan-2-yloxy-N-(1H-pyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 71455795) has the molecular formula C20H22ClN7O2 and a molecular weight of 427.90 g/mol. Its IUPAC name is 2-(6-chloro-3-pyridinyl)-N-methyl-4-propan-2-yloxy-N-(1H-pyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-(6-chloro-3-pyridinyl)-N-methyl-4-propan-2-yloxy-N-(1H-pyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID71455795
Molecular FormulaC20H22ClN7O2
Molecular Weight427.90 g/mol
Exact Mass427.15
IUPAC Name2-(6-chloro-3-pyridinyl)-N-methyl-4-propan-2-yloxy-N-(1H-pyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCC(C)Oc1nc(-c2ccc(Cl)nc2)nc2c1CN(C(=O)N(C)c1cn[nH]c1)CC2
InChIInChI=1S/C20H22ClN7O2/c1-12(2)30-19-15-11-28(20(29)27(3)14-9-23-24-10-14)7-6-16(15)25-18(26-19)13-4-5-17(21)22-8-13/h4-5,8-10,12H,6-7,11H2,1-3H3,(H,23,24)
InChIKeyHUDAVWQNVFDFNL-UHFFFAOYSA-N
XLogP3.32
TPSA100.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.90
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(6-chloro-3-pyridinyl)-N-methyl-4-propan-2-yloxy-N-(1H-pyrazol-4-yl)-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-methyl-4-propan-2-yloxy-N-(1H-pyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-(6-chloro-3-pyridinyl)-N-methyl-4-propan-2-yloxy-N-(1H-pyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 71455795) is 2-(6-chloro-3-pyridinyl)-N-methyl-4-propan-2-yloxy-N-(1H-pyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-(6-chloro-3-pyridinyl)-N-methyl-4-propan-2-yloxy-N-(1H-pyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-(6-chloro-3-pyridinyl)-N-methyl-4-propan-2-yloxy-N-(1H-pyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is CC(C)Oc1nc(-c2ccc(Cl)nc2)nc2c1CN(C(=O)N(C)c1cn[nH]c1)CC2.
What is the InChIKey of 2-(6-chloro-3-pyridinyl)-N-methyl-4-propan-2-yloxy-N-(1H-pyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is HUDAVWQNVFDFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN7O2/c1-12(2)30-19-15-11-28(20(29)27(3)14-9-23-24-10-14)7-6-16(15)25-18(26-19)13-4-5-17(21)22-8-13/h4-5,8-10,12H,6-7,11H2,1-3H3,(H,23,24).
What are the key properties of 2-(6-chloro-3-pyridinyl)-N-methyl-4-propan-2-yloxy-N-(1H-pyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
2-(6-chloro-3-pyridinyl)-N-methyl-4-propan-2-yloxy-N-(1H-pyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 427.90 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-pyridinyl)-N-methyl-4-propan-2-yloxy-N-(1H-pyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 71455795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).