methyl 2-[3-[[2-(4-methylpiperidin-1-yl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]acetate

C25H31N5O3 — CID 135674544

IUPACmethyl 2-[3-[[2-(4-methylpiperidin-1-yl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]acetate
SMILESCOC(=O)Cn1cc(CN2CCc3nc(N4CCC(C)CC4)[nH]c(=O)c3C2)c2ccccc21
InChIInChI=1S/C25H31N5O3/c1-17-7-11-29(12-8-17)25-26-21-9-10-28(15-20(21)24(32)27-25)13-18-14-30(16-23(31)33-2)22-6-4-3-5-19(18)22/h3-6,14,17H,7-13,15-16H2,1-2H3,(H,26,27,32)
InChIKeyOFQQGEYIQJQMHQ-UHFFFAOYSA-N
MW449.56 g/mol
LogP2.69
Rot. Bonds5

About methyl 2-[3-[[2-(4-methylpiperidin-1-yl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]acetate

methyl 2-[3-[[2-(4-methylpiperidin-1-yl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]acetate (PubChem CID 135674544) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is methyl 2-[3-[[2-(4-methylpiperidin-1-yl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[[2-(4-methylpiperidin-1-yl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]acetate
PubChem CID135674544
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC Namemethyl 2-[3-[[2-(4-methylpiperidin-1-yl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]acetate
SMILESCOC(=O)Cn1cc(CN2CCc3nc(N4CCC(C)CC4)[nH]c(=O)c3C2)c2ccccc21
InChIInChI=1S/C25H31N5O3/c1-17-7-11-29(12-8-17)25-26-21-9-10-28(15-20(21)24(32)27-25)13-18-14-30(16-23(31)33-2)22-6-4-3-5-19(18)22/h3-6,14,17H,7-13,15-16H2,1-2H3,(H,26,27,32)
InChIKeyOFQQGEYIQJQMHQ-UHFFFAOYSA-N
XLogP2.69
TPSA83.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[3-[[2-(4-methylpiperidin-1-yl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]acetate with MolForge

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Related Compounds

6-[(2-methoxyphenyl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136707140
6-[(1-propan-2-ylindol-3-yl)methyl]-2-pyrrolidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135963376
2-cyclopropyl-6-[(1-prop-2-enylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943892
6-[(2,5-difluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135674509
2-tert-butyl-6-[(1-prop-2-enylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943881
methyl 2-[3-[(4-iodo-2-methyl-4,5,6,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-7-yl)methyl]indol-1-yl]acetate
CID 46937923
6-[(2-hydroxyphenyl)methyl]-2-(3-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135674454
1-(6-benzyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidine-4-carboxylic acid
CID 136925266
6-[(5-methylfuran-2-yl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135880386
6-[(1-benzylindol-3-yl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861521
2-cyclopropyl-6-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946552
7-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136707114

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[[2-(4-methylpiperidin-1-yl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]acetate?
The IUPAC name of methyl 2-[3-[[2-(4-methylpiperidin-1-yl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]acetate (CID 135674544) is methyl 2-[3-[[2-(4-methylpiperidin-1-yl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-[[2-(4-methylpiperidin-1-yl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]acetate?
The canonical SMILES for methyl 2-[3-[[2-(4-methylpiperidin-1-yl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]acetate is COC(=O)Cn1cc(CN2CCc3nc(N4CCC(C)CC4)[nH]c(=O)c3C2)c2ccccc21.
What is the InChIKey of methyl 2-[3-[[2-(4-methylpiperidin-1-yl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]acetate?
The InChIKey is OFQQGEYIQJQMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-17-7-11-29(12-8-17)25-26-21-9-10-28(15-20(21)24(32)27-25)13-18-14-30(16-23(31)33-2)22-6-4-3-5-19(18)22/h3-6,14,17H,7-13,15-16H2,1-2H3,(H,26,27,32).
What are the key properties of methyl 2-[3-[[2-(4-methylpiperidin-1-yl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]acetate?
methyl 2-[3-[[2-(4-methylpiperidin-1-yl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]acetate has a molecular weight of 449.56 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[[2-(4-methylpiperidin-1-yl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]acetate is sourced from PubChem (CID 135674544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).