N-[5-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]-2-pyridinyl]cyclopropanecarboxamide

C25H23FN6O2 — CID 24962203

IUPACN-[5-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCCOc1nc(NCc2ccc(F)cc2)nc2ccc(-c3ccc(NC(=O)C4CC4)nc3)nc12
InChIInChI=1S/C25H23FN6O2/c1-2-34-24-22-20(30-25(32-24)28-13-15-3-8-18(26)9-4-15)11-10-19(29-22)17-7-12-21(27-14-17)31-23(33)16-5-6-16/h3-4,7-12,14,16H,2,5-6,13H2,1H3,(H,27,31,33)(H,28,30,32)
InChIKeyMXUFJGWQNYDXMF-UHFFFAOYSA-N
MW458.50 g/mol
LogP4.59
Rot. Bonds8

About N-[5-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]-2-pyridinyl]cyclopropanecarboxamide

N-[5-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 24962203) has the molecular formula C25H23FN6O2 and a molecular weight of 458.50 g/mol. Its IUPAC name is N-[5-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID24962203
Molecular FormulaC25H23FN6O2
Molecular Weight458.50 g/mol
Exact Mass458.19
IUPAC NameN-[5-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCCOc1nc(NCc2ccc(F)cc2)nc2ccc(-c3ccc(NC(=O)C4CC4)nc3)nc12
InChIInChI=1S/C25H23FN6O2/c1-2-34-24-22-20(30-25(32-24)28-13-15-3-8-18(26)9-4-15)11-10-19(29-22)17-7-12-21(27-14-17)31-23(33)16-5-6-16/h3-4,7-12,14,16H,2,5-6,13H2,1H3,(H,27,31,33)(H,28,30,32)
InChIKeyMXUFJGWQNYDXMF-UHFFFAOYSA-N
XLogP4.59
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]-2-pyridinyl]cyclopropanecarboxamide 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-[5-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]-2-pyridinyl]cyclopropanecarboxamide (CID 24962203) is N-[5-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]-2-pyridinyl]cyclopropanecarboxamide is CCOc1nc(NCc2ccc(F)cc2)nc2ccc(-c3ccc(NC(=O)C4CC4)nc3)nc12.
What is the InChIKey of N-[5-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is MXUFJGWQNYDXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O2/c1-2-34-24-22-20(30-25(32-24)28-13-15-3-8-18(26)9-4-15)11-10-19(29-22)17-7-12-21(27-14-17)31-23(33)16-5-6-16/h3-4,7-12,14,16H,2,5-6,13H2,1H3,(H,27,31,33)(H,28,30,32).
What are the key properties of N-[5-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]-2-pyridinyl]cyclopropanecarboxamide?
N-[5-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 458.50 g/mol, XLogP of 4.59, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 24962203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).