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

C25H26N6O3 — CID 59394616

IUPACN-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[[(6S)-7-ethyl-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]indole-1-carboxamide
SMILESCCN1Cc2ncnc(Oc3ccc4c(ccn4C(=O)Nc4cc(C5CC5)on4)c3)c2C[C@@H]1C
InChIInChI=1S/C25H26N6O3/c1-3-30-13-20-19(10-15(30)2)24(27-14-26-20)33-18-6-7-21-17(11-18)8-9-31(21)25(32)28-23-12-22(34-29-23)16-4-5-16/h6-9,11-12,14-16H,3-5,10,13H2,1-2H3,(H,28,29,32)/t15-/m0/s1
InChIKeyMVJIXNZDBWTNCR-HNNXBMFYSA-N
MW458.52 g/mol
LogP4.94
Rot. Bonds5

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

N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[[(6S)-7-ethyl-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]indole-1-carboxamide (PubChem CID 59394616) has the molecular formula C25H26N6O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[[(6S)-7-ethyl-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]indole-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[[(6S)-7-ethyl-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]indole-1-carboxamide
PubChem CID59394616
Molecular FormulaC25H26N6O3
Molecular Weight458.52 g/mol
Exact Mass458.21
IUPAC NameN-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[[(6S)-7-ethyl-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]indole-1-carboxamide
SMILESCCN1Cc2ncnc(Oc3ccc4c(ccn4C(=O)Nc4cc(C5CC5)on4)c3)c2C[C@@H]1C
InChIInChI=1S/C25H26N6O3/c1-3-30-13-20-19(10-15(30)2)24(27-14-26-20)33-18-6-7-21-17(11-18)8-9-31(21)25(32)28-23-12-22(34-29-23)16-4-5-16/h6-9,11-12,14-16H,3-5,10,13H2,1-2H3,(H,28,29,32)/t15-/m0/s1
InChIKeyMVJIXNZDBWTNCR-HNNXBMFYSA-N
XLogP4.94
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[[(6S)-7-ethyl-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]indole-1-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[[(6S)-7-ethyl-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]indole-1-carboxamide (CID 59394616) is N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[[(6S)-7-ethyl-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]indole-1-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[[(6S)-7-ethyl-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]indole-1-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[[(6S)-7-ethyl-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]indole-1-carboxamide is CCN1Cc2ncnc(Oc3ccc4c(ccn4C(=O)Nc4cc(C5CC5)on4)c3)c2C[C@@H]1C.
What is the InChIKey of N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[[(6S)-7-ethyl-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]indole-1-carboxamide?
The InChIKey is MVJIXNZDBWTNCR-HNNXBMFYSA-N. The full InChI is InChI=1S/C25H26N6O3/c1-3-30-13-20-19(10-15(30)2)24(27-14-26-20)33-18-6-7-21-17(11-18)8-9-31(21)25(32)28-23-12-22(34-29-23)16-4-5-16/h6-9,11-12,14-16H,3-5,10,13H2,1-2H3,(H,28,29,32)/t15-/m0/s1.
What are the key properties of N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[[(6S)-7-ethyl-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]indole-1-carboxamide?
N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[[(6S)-7-ethyl-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]indole-1-carboxamide has a molecular weight of 458.52 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[[(6S)-7-ethyl-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]indole-1-carboxamide is sourced from PubChem (CID 59394616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).