2,4-dimethyl-N-spiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane]-1-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide

C23H25N3O2 — CID 121318276

IUPAC2,4-dimethyl-N-spiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane]-1-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2ccc(C(=O)NC3CCC4(CCCO4)c4ccccc43)c2n1
InChIInChI=1S/C23H25N3O2/c1-15-14-16(2)26-12-9-18(21(26)24-15)22(27)25-20-8-11-23(10-5-13-28-23)19-7-4-3-6-17(19)20/h3-4,6-7,9,12,14,20H,5,8,10-11,13H2,1-2H3,(H,25,27)
InChIKeyYZCUPENMXFLWEA-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.22
Rot. Bonds2

About 2,4-dimethyl-N-spiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane]-1-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide

2,4-dimethyl-N-spiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane]-1-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide (PubChem CID 121318276) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2,4-dimethyl-N-spiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane]-1-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-spiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane]-1-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide
PubChem CID121318276
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name2,4-dimethyl-N-spiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane]-1-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2ccc(C(=O)NC3CCC4(CCCO4)c4ccccc43)c2n1
InChIInChI=1S/C23H25N3O2/c1-15-14-16(2)26-12-9-18(21(26)24-15)22(27)25-20-8-11-23(10-5-13-28-23)19-7-4-3-6-17(19)20/h3-4,6-7,9,12,14,20H,5,8,10-11,13H2,1-2H3,(H,25,27)
InChIKeyYZCUPENMXFLWEA-UHFFFAOYSA-N
XLogP4.22
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-N-(4-methoxycyclohexyl)-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 132000290
methyl 7-(3,6-dihydro-2H-pyran-4-yl)-5-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrrolo[1,2-a]quinazoline-2-carboxylate
CID 166476608
methyl 7-(3,6-dihydro-2H-pyran-4-yl)-5-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethylamino]pyrrolo[1,2-a]quinazoline-2-carboxylate
CID 166476668
2,3-Dimethyl-8-(2-(2-(benzyloxy)ethyl)-6-methylbenzylamino)-imidazo[1,2-a]pyridine-6-carboxamide
CID 12148920
8-(3,4-dihydro-1H-isochromen-4-ylamino)-N-(2-hydroxyethyl)-N,2,3-trimethylimidazo[1,2-a]pyridine-6-carboxamide
CID 57432317
2-amino-5-[3-(1,3-dihydro-2-benzofuran-1-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 57731578
2-amino-5-[3-(1,3-dihydro-2-benzofuran-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 68695523
8-(3,4-dihydro-1H-isochromen-4-ylamino)-N,N,2,3-tetramethylimidazo[1,2-a]pyridine-6-carboxamide
CID 69017755
N-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]-4-(methoxymethyl)benzamide
CID 90961984
N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121318213
N-[1-(3-methoxyphenyl)ethyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121318215
N-[1-(2-ethoxyphenyl)ethyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121318281

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-spiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane]-1-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The IUPAC name of 2,4-dimethyl-N-spiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane]-1-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide (CID 121318276) is 2,4-dimethyl-N-spiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane]-1-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-spiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane]-1-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-spiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane]-1-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide is Cc1cc(C)n2ccc(C(=O)NC3CCC4(CCCO4)c4ccccc43)c2n1.
What is the InChIKey of 2,4-dimethyl-N-spiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane]-1-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The InChIKey is YZCUPENMXFLWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-15-14-16(2)26-12-9-18(21(26)24-15)22(27)25-20-8-11-23(10-5-13-28-23)19-7-4-3-6-17(19)20/h3-4,6-7,9,12,14,20H,5,8,10-11,13H2,1-2H3,(H,25,27).
What are the key properties of 2,4-dimethyl-N-spiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane]-1-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
2,4-dimethyl-N-spiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane]-1-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-spiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane]-1-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 121318276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).