[2-[(3-methylimidazol-4-yl)methylamino]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-(4-methylphenyl)methanone

C23H26N6O2 — CID 131662610

IUPAC[2-[(3-methylimidazol-4-yl)methylamino]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC3(COCc4cnc(NCc5cncn5C)nc43)C2)cc1
InChIInChI=1S/C23H26N6O2/c1-16-3-5-17(6-4-16)21(30)29-8-7-23(13-29)14-31-12-18-9-25-22(27-20(18)23)26-11-19-10-24-15-28(19)2/h3-6,9-10,15H,7-8,11-14H2,1-2H3,(H,25,26,27)
InChIKeyIBNNKJSGOPEUHL-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.44
Rot. Bonds4

About [2-[(3-methylimidazol-4-yl)methylamino]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-(4-methylphenyl)methanone

[2-[(3-methylimidazol-4-yl)methylamino]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-(4-methylphenyl)methanone (PubChem CID 131662610) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is [2-[(3-methylimidazol-4-yl)methylamino]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[2-[(3-methylimidazol-4-yl)methylamino]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-(4-methylphenyl)methanone
PubChem CID131662610
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name[2-[(3-methylimidazol-4-yl)methylamino]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC3(COCc4cnc(NCc5cncn5C)nc43)C2)cc1
InChIInChI=1S/C23H26N6O2/c1-16-3-5-17(6-4-16)21(30)29-8-7-23(13-29)14-31-12-18-9-25-22(27-20(18)23)26-11-19-10-24-15-28(19)2/h3-6,9-10,15H,7-8,11-14H2,1-2H3,(H,25,26,27)
InChIKeyIBNNKJSGOPEUHL-UHFFFAOYSA-N
XLogP2.44
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[(3-methylimidazol-4-yl)methylamino]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-(4-methylphenyl)methanone with MolForge

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Related Compounds

(3,3-difluorocyclobutyl)-[2-[(3-methylimidazol-4-yl)methylamino]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]methanone;2,2,2-trifluoroacetic acid
CID 155835012
[2-(benzylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-pyridin-4-ylmethanone
CID 131658966
[2-(furan-2-ylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-phenylmethanone
CID 131662281
1-[(8R)-2-(cyclopropylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]ethanone
CID 97401493
2-(cyclopropylmethylamino)-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide
CID 134075875
1-[2-(furan-2-ylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-methoxyethanone
CID 118739280
1-[2-(furan-2-ylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-4-methylpentan-1-one
CID 131659487
(5-methyl-1H-pyrazol-3-yl)-[2-(oxan-4-ylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]methanone
CID 155848085
N-(2-methylpropyl)-2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide
CID 131659322
1-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone
CID 134075887
1-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one
CID 134075883
[(8S)-2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-(3-methoxyphenyl)methanone
CID 97415558

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methylimidazol-4-yl)methylamino]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-(4-methylphenyl)methanone?
The IUPAC name of [2-[(3-methylimidazol-4-yl)methylamino]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-(4-methylphenyl)methanone (CID 131662610) is [2-[(3-methylimidazol-4-yl)methylamino]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [2-[(3-methylimidazol-4-yl)methylamino]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [2-[(3-methylimidazol-4-yl)methylamino]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCC3(COCc4cnc(NCc5cncn5C)nc43)C2)cc1.
What is the InChIKey of [2-[(3-methylimidazol-4-yl)methylamino]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-(4-methylphenyl)methanone?
The InChIKey is IBNNKJSGOPEUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-16-3-5-17(6-4-16)21(30)29-8-7-23(13-29)14-31-12-18-9-25-22(27-20(18)23)26-11-19-10-24-15-28(19)2/h3-6,9-10,15H,7-8,11-14H2,1-2H3,(H,25,26,27).
What are the key properties of [2-[(3-methylimidazol-4-yl)methylamino]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-(4-methylphenyl)methanone?
[2-[(3-methylimidazol-4-yl)methylamino]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-(4-methylphenyl)methanone has a molecular weight of 418.50 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methylimidazol-4-yl)methylamino]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 131662610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).