6-cyclopropyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C25H19N5O3 — CID 167855430

IUPAC6-cyclopropyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(NCc1cc(=O)n2ccccc2n1)c1cc(C2CC2)nc2onc(-c3ccccc3)c12
InChIInChI=1S/C25H19N5O3/c31-21-12-17(27-20-8-4-5-11-30(20)21)14-26-24(32)18-13-19(15-9-10-15)28-25-22(18)23(29-33-25)16-6-2-1-3-7-16/h1-8,11-13,15H,9-10,14H2,(H,26,32)
InChIKeyWXXJIXKOPFPJGA-UHFFFAOYSA-N
MW437.46 g/mol
LogP3.71
Rot. Bonds5

About 6-cyclopropyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 167855430) has the molecular formula C25H19N5O3 and a molecular weight of 437.46 g/mol. Its IUPAC name is 6-cyclopropyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID167855430
Molecular FormulaC25H19N5O3
Molecular Weight437.46 g/mol
Exact Mass437.15
IUPAC Name6-cyclopropyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(NCc1cc(=O)n2ccccc2n1)c1cc(C2CC2)nc2onc(-c3ccccc3)c12
InChIInChI=1S/C25H19N5O3/c31-21-12-17(27-20-8-4-5-11-30(20)21)14-26-24(32)18-13-19(15-9-10-15)28-25-22(18)23(29-33-25)16-6-2-1-3-7-16/h1-8,11-13,15H,9-10,14H2,(H,26,32)
InChIKeyWXXJIXKOPFPJGA-UHFFFAOYSA-N
XLogP3.71
TPSA102.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 167855430) is 6-cyclopropyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is O=C(NCc1cc(=O)n2ccccc2n1)c1cc(C2CC2)nc2onc(-c3ccccc3)c12.
What is the InChIKey of 6-cyclopropyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is WXXJIXKOPFPJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O3/c31-21-12-17(27-20-8-4-5-11-30(20)21)14-26-24(32)18-13-19(15-9-10-15)28-25-22(18)23(29-33-25)16-6-2-1-3-7-16/h1-8,11-13,15H,9-10,14H2,(H,26,32).
What are the key properties of 6-cyclopropyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 437.46 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 167855430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).