ethyl 1-[6-[2-(dimethylamino)-4-hydroxybenzoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate

C24H31N5O4 — CID 53373627

IUPACethyl 1-[6-[2-(dimethylamino)-4-hydroxybenzoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ncnc3c2CN(C(=O)c2ccc(O)cc2N(C)C)CC3)CC1
InChIInChI=1S/C24H31N5O4/c1-4-33-24(32)16-7-10-28(11-8-16)22-19-14-29(12-9-20(19)25-15-26-22)23(31)18-6-5-17(30)13-21(18)27(2)3/h5-6,13,15-16,30H,4,7-12,14H2,1-3H3
InChIKeyORLOORCWFSZSOV-UHFFFAOYSA-N
MW453.54 g/mol
LogP2.23
Rot. Bonds5

About ethyl 1-[6-[2-(dimethylamino)-4-hydroxybenzoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate

ethyl 1-[6-[2-(dimethylamino)-4-hydroxybenzoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate (PubChem CID 53373627) has the molecular formula C24H31N5O4 and a molecular weight of 453.54 g/mol. Its IUPAC name is ethyl 1-[6-[2-(dimethylamino)-4-hydroxybenzoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[6-[2-(dimethylamino)-4-hydroxybenzoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate
PubChem CID53373627
Molecular FormulaC24H31N5O4
Molecular Weight453.54 g/mol
Exact Mass453.24
IUPAC Nameethyl 1-[6-[2-(dimethylamino)-4-hydroxybenzoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ncnc3c2CN(C(=O)c2ccc(O)cc2N(C)C)CC3)CC1
InChIInChI=1S/C24H31N5O4/c1-4-33-24(32)16-7-10-28(11-8-16)22-19-14-29(12-9-20(19)25-15-26-22)23(31)18-6-5-17(30)13-21(18)27(2)3/h5-6,13,15-16,30H,4,7-12,14H2,1-3H3
InChIKeyORLOORCWFSZSOV-UHFFFAOYSA-N
XLogP2.23
TPSA99.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 1-[6-[2-(dimethylamino)-4-hydroxybenzoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[6-[2-(dimethylamino)-4-hydroxybenzoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[6-[2-(dimethylamino)-4-hydroxybenzoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate (CID 53373627) is ethyl 1-[6-[2-(dimethylamino)-4-hydroxybenzoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[6-[2-(dimethylamino)-4-hydroxybenzoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[6-[2-(dimethylamino)-4-hydroxybenzoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2ncnc3c2CN(C(=O)c2ccc(O)cc2N(C)C)CC3)CC1.
What is the InChIKey of ethyl 1-[6-[2-(dimethylamino)-4-hydroxybenzoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate?
The InChIKey is ORLOORCWFSZSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O4/c1-4-33-24(32)16-7-10-28(11-8-16)22-19-14-29(12-9-20(19)25-15-26-22)23(31)18-6-5-17(30)13-21(18)27(2)3/h5-6,13,15-16,30H,4,7-12,14H2,1-3H3.
What are the key properties of ethyl 1-[6-[2-(dimethylamino)-4-hydroxybenzoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate?
ethyl 1-[6-[2-(dimethylamino)-4-hydroxybenzoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate has a molecular weight of 453.54 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[6-[2-(dimethylamino)-4-hydroxybenzoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate is sourced from PubChem (CID 53373627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).