5-[[(6S)-7-acetyl-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]-N-(5-cyclopropyl-1,2-oxazol-3-yl)indole-1-carboxamide

C25H24N6O4 — CID 56970263

IUPAC5-[[(6S)-7-acetyl-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]-N-(5-cyclopropyl-1,2-oxazol-3-yl)indole-1-carboxamide
SMILESCC(=O)N1Cc2ncnc(Oc3ccc4c(ccn4C(=O)Nc4cc(C5CC5)on4)c3)c2C[C@@H]1C
InChIInChI=1S/C25H24N6O4/c1-14-9-19-20(12-31(14)15(2)32)26-13-27-24(19)34-18-5-6-21-17(10-18)7-8-30(21)25(33)28-23-11-22(35-29-23)16-3-4-16/h5-8,10-11,13-14,16H,3-4,9,12H2,1-2H3,(H,28,29,33)/t14-/m0/s1
InChIKeyFTKFKTZZLRFVEP-AWEZNQCLSA-N
MW472.51 g/mol
LogP4.46
Rot. Bonds4

About 5-[[(6S)-7-acetyl-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]-N-(5-cyclopropyl-1,2-oxazol-3-yl)indole-1-carboxamide

5-[[(6S)-7-acetyl-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]-N-(5-cyclopropyl-1,2-oxazol-3-yl)indole-1-carboxamide (PubChem CID 56970263) has the molecular formula C25H24N6O4 and a molecular weight of 472.51 g/mol. Its IUPAC name is 5-[[(6S)-7-acetyl-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]-N-(5-cyclopropyl-1,2-oxazol-3-yl)indole-1-carboxamide.

Molecular Properties

Compound Name5-[[(6S)-7-acetyl-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]-N-(5-cyclopropyl-1,2-oxazol-3-yl)indole-1-carboxamide
PubChem CID56970263
Molecular FormulaC25H24N6O4
Molecular Weight472.51 g/mol
Exact Mass472.19
IUPAC Name5-[[(6S)-7-acetyl-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]-N-(5-cyclopropyl-1,2-oxazol-3-yl)indole-1-carboxamide
SMILESCC(=O)N1Cc2ncnc(Oc3ccc4c(ccn4C(=O)Nc4cc(C5CC5)on4)c3)c2C[C@@H]1C
InChIInChI=1S/C25H24N6O4/c1-14-9-19-20(12-31(14)15(2)32)26-13-27-24(19)34-18-5-6-21-17(10-18)7-8-30(21)25(33)28-23-11-22(35-29-23)16-3-4-16/h5-8,10-11,13-14,16H,3-4,9,12H2,1-2H3,(H,28,29,33)/t14-/m0/s1
InChIKeyFTKFKTZZLRFVEP-AWEZNQCLSA-N
XLogP4.46
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[[(6S)-7-acetyl-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]-N-(5-cyclopropyl-1,2-oxazol-3-yl)indole-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[(6S)-7-acetyl-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]-N-(5-cyclopropyl-1,2-oxazol-3-yl)indole-1-carboxamide?
The IUPAC name of 5-[[(6S)-7-acetyl-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]-N-(5-cyclopropyl-1,2-oxazol-3-yl)indole-1-carboxamide (CID 56970263) is 5-[[(6S)-7-acetyl-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]-N-(5-cyclopropyl-1,2-oxazol-3-yl)indole-1-carboxamide.
What is the SMILES notation for 5-[[(6S)-7-acetyl-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]-N-(5-cyclopropyl-1,2-oxazol-3-yl)indole-1-carboxamide?
The canonical SMILES for 5-[[(6S)-7-acetyl-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]-N-(5-cyclopropyl-1,2-oxazol-3-yl)indole-1-carboxamide is CC(=O)N1Cc2ncnc(Oc3ccc4c(ccn4C(=O)Nc4cc(C5CC5)on4)c3)c2C[C@@H]1C.
What is the InChIKey of 5-[[(6S)-7-acetyl-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]-N-(5-cyclopropyl-1,2-oxazol-3-yl)indole-1-carboxamide?
The InChIKey is FTKFKTZZLRFVEP-AWEZNQCLSA-N. The full InChI is InChI=1S/C25H24N6O4/c1-14-9-19-20(12-31(14)15(2)32)26-13-27-24(19)34-18-5-6-21-17(10-18)7-8-30(21)25(33)28-23-11-22(35-29-23)16-3-4-16/h5-8,10-11,13-14,16H,3-4,9,12H2,1-2H3,(H,28,29,33)/t14-/m0/s1.
What are the key properties of 5-[[(6S)-7-acetyl-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]-N-(5-cyclopropyl-1,2-oxazol-3-yl)indole-1-carboxamide?
5-[[(6S)-7-acetyl-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]-N-(5-cyclopropyl-1,2-oxazol-3-yl)indole-1-carboxamide has a molecular weight of 472.51 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(6S)-7-acetyl-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]-N-(5-cyclopropyl-1,2-oxazol-3-yl)indole-1-carboxamide is sourced from PubChem (CID 56970263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).