2,4-dimethyl-N-[3-[(2-methyl-1,3-oxazol-5-yl)oxy]-2,3-dihydro-1H-inden-5-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide

C23H22N4O3 — CID 121330349

IUPAC2,4-dimethyl-N-[3-[(2-methyl-1,3-oxazol-5-yl)oxy]-2,3-dihydro-1H-inden-5-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2ccc(C(=O)Nc3ccc4c(c3)C(Oc3cnc(C)o3)CC4)c2n1
InChIInChI=1S/C23H22N4O3/c1-13-10-14(2)27-9-8-18(22(27)25-13)23(28)26-17-6-4-16-5-7-20(19(16)11-17)30-21-12-24-15(3)29-21/h4,6,8-12,20H,5,7H2,1-3H3,(H,26,28)
InChIKeyWHXXGVVXNVZMOM-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.57
Rot. Bonds4

About 2,4-dimethyl-N-[3-[(2-methyl-1,3-oxazol-5-yl)oxy]-2,3-dihydro-1H-inden-5-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide

2,4-dimethyl-N-[3-[(2-methyl-1,3-oxazol-5-yl)oxy]-2,3-dihydro-1H-inden-5-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide (PubChem CID 121330349) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2,4-dimethyl-N-[3-[(2-methyl-1,3-oxazol-5-yl)oxy]-2,3-dihydro-1H-inden-5-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[3-[(2-methyl-1,3-oxazol-5-yl)oxy]-2,3-dihydro-1H-inden-5-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
PubChem CID121330349
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name2,4-dimethyl-N-[3-[(2-methyl-1,3-oxazol-5-yl)oxy]-2,3-dihydro-1H-inden-5-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2ccc(C(=O)Nc3ccc4c(c3)C(Oc3cnc(C)o3)CC4)c2n1
InChIInChI=1S/C23H22N4O3/c1-13-10-14(2)27-9-8-18(22(27)25-13)23(28)26-17-6-4-16-5-7-20(19(16)11-17)30-21-12-24-15(3)29-21/h4,6,8-12,20H,5,7H2,1-3H3,(H,26,28)
InChIKeyWHXXGVVXNVZMOM-UHFFFAOYSA-N
XLogP4.57
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,4-dimethyl-N-[3-[(2-methyl-1,3-oxazol-5-yl)oxy]-2,3-dihydro-1H-inden-5-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[3-[(2-methyl-1,3-oxazol-5-yl)oxy]-2,3-dihydro-1H-inden-5-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[3-[(2-methyl-1,3-oxazol-5-yl)oxy]-2,3-dihydro-1H-inden-5-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide (CID 121330349) is 2,4-dimethyl-N-[3-[(2-methyl-1,3-oxazol-5-yl)oxy]-2,3-dihydro-1H-inden-5-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[3-[(2-methyl-1,3-oxazol-5-yl)oxy]-2,3-dihydro-1H-inden-5-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[3-[(2-methyl-1,3-oxazol-5-yl)oxy]-2,3-dihydro-1H-inden-5-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide is Cc1cc(C)n2ccc(C(=O)Nc3ccc4c(c3)C(Oc3cnc(C)o3)CC4)c2n1.
What is the InChIKey of 2,4-dimethyl-N-[3-[(2-methyl-1,3-oxazol-5-yl)oxy]-2,3-dihydro-1H-inden-5-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The InChIKey is WHXXGVVXNVZMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-13-10-14(2)27-9-8-18(22(27)25-13)23(28)26-17-6-4-16-5-7-20(19(16)11-17)30-21-12-24-15(3)29-21/h4,6,8-12,20H,5,7H2,1-3H3,(H,26,28).
What are the key properties of 2,4-dimethyl-N-[3-[(2-methyl-1,3-oxazol-5-yl)oxy]-2,3-dihydro-1H-inden-5-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
2,4-dimethyl-N-[3-[(2-methyl-1,3-oxazol-5-yl)oxy]-2,3-dihydro-1H-inden-5-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[3-[(2-methyl-1,3-oxazol-5-yl)oxy]-2,3-dihydro-1H-inden-5-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 121330349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).