(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone

C23H28N4O2 — CID 110241227

IUPAC(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
SMILESCC1Cc2cc(C(=O)N3CCCC(c4ncc5c(n4)CCN(C)C5)C3)ccc2O1
InChIInChI=1S/C23H28N4O2/c1-15-10-18-11-16(5-6-21(18)29-15)23(28)27-8-3-4-17(14-27)22-24-12-19-13-26(2)9-7-20(19)25-22/h5-6,11-12,15,17H,3-4,7-10,13-14H2,1-2H3
InChIKeySHPAOOXBTXFXTM-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.81
Rot. Bonds2

About (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone

(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone (PubChem CID 110241227) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
PubChem CID110241227
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
SMILESCC1Cc2cc(C(=O)N3CCCC(c4ncc5c(n4)CCN(C)C5)C3)ccc2O1
InChIInChI=1S/C23H28N4O2/c1-15-10-18-11-16(5-6-21(18)29-15)23(28)27-8-3-4-17(14-27)22-24-12-19-13-26(2)9-7-20(19)25-22/h5-6,11-12,15,17H,3-4,7-10,13-14H2,1-2H3
InChIKeySHPAOOXBTXFXTM-UHFFFAOYSA-N
XLogP2.81
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-[(2S)-2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 92584759
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-[2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 110240826
[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-[(3S)-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 92584750
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2-pyrrolidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 110243600
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2-pyrrolidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 110240989
[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-[2-[(2R)-piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 92584779
(5-cyclopropyl-1,2-oxazol-3-yl)-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 92608926
[(1S,6R)-7-bicyclo[4.1.0]heptanyl]-[(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 124915408
[(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 92608949
[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 92559321
[(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 92559323
(2R)-1-[(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenylpropan-1-one
CID 92582598

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone (CID 110241227) is (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone is CC1Cc2cc(C(=O)N3CCCC(c4ncc5c(n4)CCN(C)C5)C3)ccc2O1.
What is the InChIKey of (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone?
The InChIKey is SHPAOOXBTXFXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-15-10-18-11-16(5-6-21(18)29-15)23(28)27-8-3-4-17(14-27)22-24-12-19-13-26(2)9-7-20(19)25-22/h5-6,11-12,15,17H,3-4,7-10,13-14H2,1-2H3.
What are the key properties of (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone?
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone has a molecular weight of 392.50 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110241227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).