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

C24H24N6O3 — CID 59394228

IUPACN-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[(7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide
SMILESCCN1CCc2c(ncnc2Oc2ccc3c(ccn3C(=O)Nc3cc(C4CC4)on3)c2)C1
InChIInChI=1S/C24H24N6O3/c1-2-29-9-8-18-19(13-29)25-14-26-23(18)32-17-5-6-20-16(11-17)7-10-30(20)24(31)27-22-12-21(33-28-22)15-3-4-15/h5-7,10-12,14-15H,2-4,8-9,13H2,1H3,(H,27,28,31)
InChIKeyAFOVZMMYMRQZEY-UHFFFAOYSA-N
MW444.50 g/mol
LogP4.55
Rot. Bonds5

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

N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[(7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide (PubChem CID 59394228) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[(7-ethyl-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-[(7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide
PubChem CID59394228
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC NameN-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[(7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide
SMILESCCN1CCc2c(ncnc2Oc2ccc3c(ccn3C(=O)Nc3cc(C4CC4)on3)c2)C1
InChIInChI=1S/C24H24N6O3/c1-2-29-9-8-18-19(13-29)25-14-26-23(18)32-17-5-6-20-16(11-17)7-10-30(20)24(31)27-22-12-21(33-28-22)15-3-4-15/h5-7,10-12,14-15H,2-4,8-9,13H2,1H3,(H,27,28,31)
InChIKeyAFOVZMMYMRQZEY-UHFFFAOYSA-N
XLogP4.55
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[(7-ethyl-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-[(7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide (CID 59394228) is N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[(7-ethyl-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-[(7-ethyl-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-[(7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide is CCN1CCc2c(ncnc2Oc2ccc3c(ccn3C(=O)Nc3cc(C4CC4)on3)c2)C1.
What is the InChIKey of N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[(7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide?
The InChIKey is AFOVZMMYMRQZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-2-29-9-8-18-19(13-29)25-14-26-23(18)32-17-5-6-20-16(11-17)7-10-30(20)24(31)27-22-12-21(33-28-22)15-3-4-15/h5-7,10-12,14-15H,2-4,8-9,13H2,1H3,(H,27,28,31).
What are the key properties of N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[(7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide?
N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[(7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide has a molecular weight of 444.50 g/mol, XLogP of 4.55, 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-[(7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide is sourced from PubChem (CID 59394228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).