N-cyclopropyl-4-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]benzamide

C26H24FN5O2 — CID 24961839

IUPACN-cyclopropyl-4-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]benzamide
SMILESCCOc1nc(NCc2ccc(F)cc2)nc2ccc(-c3ccc(C(=O)NC4CC4)cc3)nc12
InChIInChI=1S/C26H24FN5O2/c1-2-34-25-23-22(31-26(32-25)28-15-16-3-9-19(27)10-4-16)14-13-21(30-23)17-5-7-18(8-6-17)24(33)29-20-11-12-20/h3-10,13-14,20H,2,11-12,15H2,1H3,(H,29,33)(H,28,31,32)
InChIKeyPDCXLWHONZUPLI-UHFFFAOYSA-N
MW457.51 g/mol
LogP4.73
Rot. Bonds8

About N-cyclopropyl-4-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]benzamide

N-cyclopropyl-4-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]benzamide (PubChem CID 24961839) has the molecular formula C26H24FN5O2 and a molecular weight of 457.51 g/mol. Its IUPAC name is N-cyclopropyl-4-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]benzamide
PubChem CID24961839
Molecular FormulaC26H24FN5O2
Molecular Weight457.51 g/mol
Exact Mass457.19
IUPAC NameN-cyclopropyl-4-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]benzamide
SMILESCCOc1nc(NCc2ccc(F)cc2)nc2ccc(-c3ccc(C(=O)NC4CC4)cc3)nc12
InChIInChI=1S/C26H24FN5O2/c1-2-34-25-23-22(31-26(32-25)28-15-16-3-9-19(27)10-4-16)14-13-21(30-23)17-5-7-18(8-6-17)24(33)29-20-11-12-20/h3-10,13-14,20H,2,11-12,15H2,1H3,(H,29,33)(H,28,31,32)
InChIKeyPDCXLWHONZUPLI-UHFFFAOYSA-N
XLogP4.73
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]benzamide (CID 24961839) is N-cyclopropyl-4-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]benzamide is CCOc1nc(NCc2ccc(F)cc2)nc2ccc(-c3ccc(C(=O)NC4CC4)cc3)nc12.
What is the InChIKey of N-cyclopropyl-4-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]benzamide?
The InChIKey is PDCXLWHONZUPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O2/c1-2-34-25-23-22(31-26(32-25)28-15-16-3-9-19(27)10-4-16)14-13-21(30-23)17-5-7-18(8-6-17)24(33)29-20-11-12-20/h3-10,13-14,20H,2,11-12,15H2,1H3,(H,29,33)(H,28,31,32).
What are the key properties of N-cyclopropyl-4-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]benzamide?
N-cyclopropyl-4-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]benzamide has a molecular weight of 457.51 g/mol, XLogP of 4.73, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]benzamide is sourced from PubChem (CID 24961839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).