[4-methyl-2-[1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone

C24H26N4O4 — CID 110247617

IUPAC[4-methyl-2-[1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone
SMILESCc1nc(C2CCCN2C(=O)c2oc3ccccc3c2C)ncc1C(=O)N1CCOCC1
InChIInChI=1S/C24H26N4O4/c1-15-17-6-3-4-8-20(17)32-21(15)24(30)28-9-5-7-19(28)22-25-14-18(16(2)26-22)23(29)27-10-12-31-13-11-27/h3-4,6,8,14,19H,5,7,9-13H2,1-2H3
InChIKeyGTHNBPNVZMGEOF-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.29
Rot. Bonds3

About [4-methyl-2-[1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone

[4-methyl-2-[1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone (PubChem CID 110247617) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is [4-methyl-2-[1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-methyl-2-[1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone
PubChem CID110247617
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name[4-methyl-2-[1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone
SMILESCc1nc(C2CCCN2C(=O)c2oc3ccccc3c2C)ncc1C(=O)N1CCOCC1
InChIInChI=1S/C24H26N4O4/c1-15-17-6-3-4-8-20(17)32-21(15)24(30)28-9-5-7-19(28)22-25-14-18(16(2)26-22)23(29)27-10-12-31-13-11-27/h3-4,6,8,14,19H,5,7,9-13H2,1-2H3
InChIKeyGTHNBPNVZMGEOF-UHFFFAOYSA-N
XLogP3.29
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-fluorophenyl)-[(2R)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone
CID 92636277
(2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 92637289
[4-methyl-2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-2-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 110247915
2-(3-fluorophenyl)-2-methyl-1-[(2S)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 92637294
(3,5-dimethyl-1-benzofuran-2-yl)-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 110240767
cyclobutyl-[(3S)-3-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone
CID 92640304
cyclobutyl-[(3R)-3-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone
CID 92640303
1,4-diazabicyclo[3.2.2]nonan-4-yl-(3-methyl-1-benzofuran-2-yl)methanone
CID 68596839
[4-[(2R)-1-(isoquinoline-1-carbonyl)piperidin-2-yl]-2-methylpyrimidin-5-yl]-morpholin-4-ylmethanone
CID 92640609
[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 110248963
(3-methyl-1-benzofuran-2-yl)-[(1S)-1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 99777498
(3-methyl-1-benzofuran-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 888224

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-[1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-methyl-2-[1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone (CID 110247617) is [4-methyl-2-[1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-methyl-2-[1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-methyl-2-[1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone is Cc1nc(C2CCCN2C(=O)c2oc3ccccc3c2C)ncc1C(=O)N1CCOCC1.
What is the InChIKey of [4-methyl-2-[1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone?
The InChIKey is GTHNBPNVZMGEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-15-17-6-3-4-8-20(17)32-21(15)24(30)28-9-5-7-19(28)22-25-14-18(16(2)26-22)23(29)27-10-12-31-13-11-27/h3-4,6,8,14,19H,5,7,9-13H2,1-2H3.
What are the key properties of [4-methyl-2-[1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone?
[4-methyl-2-[1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone has a molecular weight of 434.50 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-[1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 110247617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).