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

C22H20N4O2 — CID 121330289

IUPAC2,4-dimethyl-N-[5-(1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-2-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2ccc(C(=O)NC3Cc4ccc(-c5ncco5)cc4C3)c2n1
InChIInChI=1S/C22H20N4O2/c1-13-9-14(2)26-7-5-19(20(26)24-13)21(27)25-18-11-15-3-4-16(10-17(15)12-18)22-23-6-8-28-22/h3-10,18H,11-12H2,1-2H3,(H,25,27)
InChIKeyFCNJKNMDXXJLMZ-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.50
Rot. Bonds3

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

2,4-dimethyl-N-[5-(1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-2-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide (PubChem CID 121330289) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2,4-dimethyl-N-[5-(1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-2-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[5-(1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-2-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
PubChem CID121330289
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name2,4-dimethyl-N-[5-(1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-2-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2ccc(C(=O)NC3Cc4ccc(-c5ncco5)cc4C3)c2n1
InChIInChI=1S/C22H20N4O2/c1-13-9-14(2)26-7-5-19(20(26)24-13)21(27)25-18-11-15-3-4-16(10-17(15)12-18)22-23-6-8-28-22/h3-10,18H,11-12H2,1-2H3,(H,25,27)
InChIKeyFCNJKNMDXXJLMZ-UHFFFAOYSA-N
XLogP3.50
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[5-(1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-2-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[5-(1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-2-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide (CID 121330289) is 2,4-dimethyl-N-[5-(1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-2-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[5-(1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-2-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[5-(1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-2-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide is Cc1cc(C)n2ccc(C(=O)NC3Cc4ccc(-c5ncco5)cc4C3)c2n1.
What is the InChIKey of 2,4-dimethyl-N-[5-(1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-2-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The InChIKey is FCNJKNMDXXJLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-13-9-14(2)26-7-5-19(20(26)24-13)21(27)25-18-11-15-3-4-16(10-17(15)12-18)22-23-6-8-28-22/h3-10,18H,11-12H2,1-2H3,(H,25,27).
What are the key properties of 2,4-dimethyl-N-[5-(1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-2-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
2,4-dimethyl-N-[5-(1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-2-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[5-(1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-2-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 121330289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).