(3R,5R)-5-(3-methoxyphenyl)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)pyrrolidin-3-ol

C19H24N4O2 — CID 129482017

IUPAC(3R,5R)-5-(3-methoxyphenyl)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
SMILESCOc1cccc([C@H]2C[C@@H](O)CN2c2ncnc3c2CN(C)CC3)c1
InChIInChI=1S/C19H24N4O2/c1-22-7-6-17-16(11-22)19(21-12-20-17)23-10-14(24)9-18(23)13-4-3-5-15(8-13)25-2/h3-5,8,12,14,18,24H,6-7,9-11H2,1-2H3/t14-,18-/m1/s1
InChIKeySILKETLYNMYBPI-RDTXWAMCSA-N
MW340.43 g/mol
LogP1.79
Rot. Bonds3

About (3R,5R)-5-(3-methoxyphenyl)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)pyrrolidin-3-ol

(3R,5R)-5-(3-methoxyphenyl)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)pyrrolidin-3-ol (PubChem CID 129482017) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (3R,5R)-5-(3-methoxyphenyl)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-5-(3-methoxyphenyl)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
PubChem CID129482017
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(3R,5R)-5-(3-methoxyphenyl)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
SMILESCOc1cccc([C@H]2C[C@@H](O)CN2c2ncnc3c2CN(C)CC3)c1
InChIInChI=1S/C19H24N4O2/c1-22-7-6-17-16(11-22)19(21-12-20-17)23-10-14(24)9-18(23)13-4-3-5-15(8-13)25-2/h3-5,8,12,14,18,24H,6-7,9-11H2,1-2H3/t14-,18-/m1/s1
InChIKeySILKETLYNMYBPI-RDTXWAMCSA-N
XLogP1.79
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R,5R)-5-(3-methoxyphenyl)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)pyrrolidin-3-ol with MolForge

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Related Compounds

(3S,5S)-5-(3-fluorophenyl)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
CID 129480731
5-(3-fluorophenyl)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
CID 128970090
(3R,5S)-1-(3-fluoro-2-pyridinyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481949
(3R,5R)-1-(9-ethylpurin-6-yl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 100727655
5-(3-methoxyphenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-ol
CID 128964886
5-(3-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-ol
CID 128964251
5-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-2-carbonitrile
CID 129482001
(3R,5R)-1-(6-ethyl-2-methylpyrimidin-4-yl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481983
(3S,5R)-5-(3-methoxyphenyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol
CID 129482038
2-fluoro-6-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]benzonitrile
CID 129481975
(3S,5R)-1-(2-ethyl-6-methylpyrimidin-4-yl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 100647139
(3R,5S)-1-(2-ethoxyethyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481356

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-(3-methoxyphenyl)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)pyrrolidin-3-ol?
The IUPAC name of (3R,5R)-5-(3-methoxyphenyl)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)pyrrolidin-3-ol (CID 129482017) is (3R,5R)-5-(3-methoxyphenyl)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-5-(3-methoxyphenyl)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-5-(3-methoxyphenyl)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)pyrrolidin-3-ol is COc1cccc([C@H]2C[C@@H](O)CN2c2ncnc3c2CN(C)CC3)c1.
What is the InChIKey of (3R,5R)-5-(3-methoxyphenyl)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)pyrrolidin-3-ol?
The InChIKey is SILKETLYNMYBPI-RDTXWAMCSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-22-7-6-17-16(11-22)19(21-12-20-17)23-10-14(24)9-18(23)13-4-3-5-15(8-13)25-2/h3-5,8,12,14,18,24H,6-7,9-11H2,1-2H3/t14-,18-/m1/s1.
What are the key properties of (3R,5R)-5-(3-methoxyphenyl)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)pyrrolidin-3-ol?
(3R,5R)-5-(3-methoxyphenyl)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)pyrrolidin-3-ol has a molecular weight of 340.43 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-(3-methoxyphenyl)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 129482017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).