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

C25H25N7O4 — CID 129045028

IUPAC4-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)carbamoyl]indol-5-yl]oxy-N-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESCCNC(=O)N1CCc2c(ncnc2Oc2ccc3c(ccn3C(=O)Nc3cc(C4CC4)on3)c2)C1
InChIInChI=1S/C25H25N7O4/c1-2-26-24(33)31-9-8-18-19(13-31)27-14-28-23(18)35-17-5-6-20-16(11-17)7-10-32(20)25(34)29-22-12-21(36-30-22)15-3-4-15/h5-7,10-12,14-15H,2-4,8-9,13H2,1H3,(H,26,33)(H,29,30,34)
InChIKeyNLUNJOPMMCWBRB-UHFFFAOYSA-N
MW487.52 g/mol
LogP4.26
Rot. Bonds5

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

4-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)carbamoyl]indol-5-yl]oxy-N-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (PubChem CID 129045028) has the molecular formula C25H25N7O4 and a molecular weight of 487.52 g/mol. Its IUPAC name is 4-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)carbamoyl]indol-5-yl]oxy-N-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name4-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)carbamoyl]indol-5-yl]oxy-N-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
PubChem CID129045028
Molecular FormulaC25H25N7O4
Molecular Weight487.52 g/mol
Exact Mass487.20
IUPAC Name4-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)carbamoyl]indol-5-yl]oxy-N-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESCCNC(=O)N1CCc2c(ncnc2Oc2ccc3c(ccn3C(=O)Nc3cc(C4CC4)on3)c2)C1
InChIInChI=1S/C25H25N7O4/c1-2-26-24(33)31-9-8-18-19(13-31)27-14-28-23(18)35-17-5-6-20-16(11-17)7-10-32(20)25(34)29-22-12-21(36-30-22)15-3-4-15/h5-7,10-12,14-15H,2-4,8-9,13H2,1H3,(H,26,33)(H,29,30,34)
InChIKeyNLUNJOPMMCWBRB-UHFFFAOYSA-N
XLogP4.26
TPSA127.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.52
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

5-[(6-acetyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)oxy]-N-(5-cyclopropyl-1,2-oxazol-3-yl)indole-1-carboxamide
CID 59394015
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
N-(5-cyclohexyl-1,2-oxazol-3-yl)-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
CID 59394511
N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[(7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide
CID 129045025
N-(5-tert-butyl-1,2-oxazol-3-yl)-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
CID 59394335
N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
CID 59394589
N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-5-[(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide
CID 59394742
N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-1-carboxamide
CID 59394382
5-[[6-(2-amino-2-oxoethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]oxy]-N-(5-tert-butyl-1,2-oxazol-3-yl)indole-1-carboxamide
CID 59394705
4-[1-[[3-(trifluoromethoxy)phenyl]carbamoyl]indol-5-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
CID 152769281
5-[[(6S)-6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]oxy]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]indole-1-carboxamide
CID 59394725
5-[[(6S)-6-methyl-7-(2-methylaziridine-2-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]indole-1-carboxamide
CID 129045543

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)carbamoyl]indol-5-yl]oxy-N-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The IUPAC name of 4-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)carbamoyl]indol-5-yl]oxy-N-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (CID 129045028) is 4-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)carbamoyl]indol-5-yl]oxy-N-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 4-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)carbamoyl]indol-5-yl]oxy-N-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The canonical SMILES for 4-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)carbamoyl]indol-5-yl]oxy-N-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is CCNC(=O)N1CCc2c(ncnc2Oc2ccc3c(ccn3C(=O)Nc3cc(C4CC4)on3)c2)C1.
What is the InChIKey of 4-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)carbamoyl]indol-5-yl]oxy-N-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The InChIKey is NLUNJOPMMCWBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O4/c1-2-26-24(33)31-9-8-18-19(13-31)27-14-28-23(18)35-17-5-6-20-16(11-17)7-10-32(20)25(34)29-22-12-21(36-30-22)15-3-4-15/h5-7,10-12,14-15H,2-4,8-9,13H2,1H3,(H,26,33)(H,29,30,34).
What are the key properties of 4-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)carbamoyl]indol-5-yl]oxy-N-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
4-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)carbamoyl]indol-5-yl]oxy-N-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide has a molecular weight of 487.52 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)carbamoyl]indol-5-yl]oxy-N-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 129045028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).