methyl 2-[1-[2-[3-(2-methoxy-3-pyridinyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]acetate

C27H27N5O3 — CID 58578163

IUPACmethyl 2-[1-[2-[3-(2-methoxy-3-pyridinyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]acetate
SMILESCOC(=O)CC1CCCN(c2nc(-c3cccc(-c4cccnc4OC)c3)nc3cnccc23)C1
InChIInChI=1S/C27H27N5O3/c1-34-24(33)14-18-6-5-13-32(17-18)26-22-10-12-28-16-23(22)30-25(31-26)20-8-3-7-19(15-20)21-9-4-11-29-27(21)35-2/h3-4,7-12,15-16,18H,5-6,13-14,17H2,1-2H3
InChIKeyFCZNDAMUEHHWLE-UHFFFAOYSA-N
MW469.55 g/mol
LogP4.54
Rot. Bonds6

About methyl 2-[1-[2-[3-(2-methoxy-3-pyridinyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]acetate

methyl 2-[1-[2-[3-(2-methoxy-3-pyridinyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]acetate (PubChem CID 58578163) has the molecular formula C27H27N5O3 and a molecular weight of 469.55 g/mol. Its IUPAC name is methyl 2-[1-[2-[3-(2-methoxy-3-pyridinyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[2-[3-(2-methoxy-3-pyridinyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]acetate
PubChem CID58578163
Molecular FormulaC27H27N5O3
Molecular Weight469.55 g/mol
Exact Mass469.21
IUPAC Namemethyl 2-[1-[2-[3-(2-methoxy-3-pyridinyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]acetate
SMILESCOC(=O)CC1CCCN(c2nc(-c3cccc(-c4cccnc4OC)c3)nc3cnccc23)C1
InChIInChI=1S/C27H27N5O3/c1-34-24(33)14-18-6-5-13-32(17-18)26-22-10-12-28-16-23(22)30-25(31-26)20-8-3-7-19(15-20)21-9-4-11-29-27(21)35-2/h3-4,7-12,15-16,18H,5-6,13-14,17H2,1-2H3
InChIKeyFCZNDAMUEHHWLE-UHFFFAOYSA-N
XLogP4.54
TPSA90.33 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 2-[1-[2-[3-(2-methoxy-3-pyridinyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2-phenylquinazolin-4-yl)piperidin-3-yl]acetamide
CID 133355934
[(3S)-1-(6,7-dimethoxy-2-phenylquinazolin-4-yl)piperidin-3-yl]methanol
CID 9311249
N-methylsulfanyl-1-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-yl]methanamine
CID 142582671
4-[2-(2-chloro-4-pyridinyl)pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylic acid
CID 151425197
(2-methoxy-3-pyridinyl)-[(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 124982563
N-phenyl-1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-3-amine
CID 133363141
1-[1-(5,6-dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propan-2-one
CID 58780769
N-cyclopentyl-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]propanamide
CID 133287736
1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-ol
CID 11415528
[3-(bromomethyl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 80660116
6-(3-methoxyphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline
CID 141404533
[1-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)piperidin-3-yl]methanamine
CID 68596973

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[2-[3-(2-methoxy-3-pyridinyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]acetate?
The IUPAC name of methyl 2-[1-[2-[3-(2-methoxy-3-pyridinyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]acetate (CID 58578163) is methyl 2-[1-[2-[3-(2-methoxy-3-pyridinyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]acetate.
What is the SMILES notation for methyl 2-[1-[2-[3-(2-methoxy-3-pyridinyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]acetate?
The canonical SMILES for methyl 2-[1-[2-[3-(2-methoxy-3-pyridinyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]acetate is COC(=O)CC1CCCN(c2nc(-c3cccc(-c4cccnc4OC)c3)nc3cnccc23)C1.
What is the InChIKey of methyl 2-[1-[2-[3-(2-methoxy-3-pyridinyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]acetate?
The InChIKey is FCZNDAMUEHHWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O3/c1-34-24(33)14-18-6-5-13-32(17-18)26-22-10-12-28-16-23(22)30-25(31-26)20-8-3-7-19(15-20)21-9-4-11-29-27(21)35-2/h3-4,7-12,15-16,18H,5-6,13-14,17H2,1-2H3.
What are the key properties of methyl 2-[1-[2-[3-(2-methoxy-3-pyridinyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]acetate?
methyl 2-[1-[2-[3-(2-methoxy-3-pyridinyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]acetate has a molecular weight of 469.55 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[2-[3-(2-methoxy-3-pyridinyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]acetate is sourced from PubChem (CID 58578163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).