ethyl 5,7-dimethyl-2-oxo-4-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1-propyl-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate

C28H37N5O3 — CID 91483898

IUPACethyl 5,7-dimethyl-2-oxo-4-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1-propyl-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCCn1c2c(c(N3CCN(CC=Cc4ccccc4)CC3)nc1=O)C(C)C(C(=O)OCC)C(C)=N2
InChIInChI=1S/C28H37N5O3/c1-5-14-33-26-24(20(3)23(21(4)29-26)27(34)36-6-2)25(30-28(33)35)32-18-16-31(17-19-32)15-10-13-22-11-8-7-9-12-22/h7-13,20,23H,5-6,14-19H2,1-4H3
InChIKeyNSGWBBRJXKZERI-UHFFFAOYSA-N
MW491.64 g/mol
LogP3.88
Rot. Bonds8

About ethyl 5,7-dimethyl-2-oxo-4-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1-propyl-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate

ethyl 5,7-dimethyl-2-oxo-4-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1-propyl-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 91483898) has the molecular formula C28H37N5O3 and a molecular weight of 491.64 g/mol. Its IUPAC name is ethyl 5,7-dimethyl-2-oxo-4-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1-propyl-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5,7-dimethyl-2-oxo-4-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1-propyl-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID91483898
Molecular FormulaC28H37N5O3
Molecular Weight491.64 g/mol
Exact Mass491.29
IUPAC Nameethyl 5,7-dimethyl-2-oxo-4-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1-propyl-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCCn1c2c(c(N3CCN(CC=Cc4ccccc4)CC3)nc1=O)C(C)C(C(=O)OCC)C(C)=N2
InChIInChI=1S/C28H37N5O3/c1-5-14-33-26-24(20(3)23(21(4)29-26)27(34)36-6-2)25(30-28(33)35)32-18-16-31(17-19-32)15-10-13-22-11-8-7-9-12-22/h7-13,20,23H,5-6,14-19H2,1-4H3
InChIKeyNSGWBBRJXKZERI-UHFFFAOYSA-N
XLogP3.88
TPSA80.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.64
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 5,7-dimethyl-2-oxo-4-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1-propyl-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 1-[2-(dimethylamino)ethyl]-7-methyl-2-oxo-5-phenyl-4-[4-(2-phenylethyl)piperazin-1-yl]-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 91257457
ethyl 4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-5,7-dimethyl-2-oxo-1-prop-2-enyl-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 91435597
3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-1-propyl-[1]benzothiolo[2,3-b]pyrazin-2-one
CID 10718167
6-ethyl-2-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 16627332
1-hexyl-4-(3-phenylprop-2-enyl)piperazine
CID 71410335
oxalic acid;1-phenyl-4-(3-phenylprop-2-enyl)piperazine
CID 171151210
6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 56702748
ethyl 1-[4-[[4,5-dimethyl-6-[4-(3-phenylprop-2-enyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-3-carboxylate
CID 75138423
ethyl 4-[[N-methyl-C-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbonimidoyl]amino]butanoate
CID 111218301
N-butyl-N,4-dimethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
CID 112923726
2-chloro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine
CID 51308937
3,4-dimethyl-6-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 3132194

Frequently Asked Questions

What is the IUPAC name of ethyl 5,7-dimethyl-2-oxo-4-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1-propyl-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 5,7-dimethyl-2-oxo-4-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1-propyl-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate (CID 91483898) is ethyl 5,7-dimethyl-2-oxo-4-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1-propyl-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 5,7-dimethyl-2-oxo-4-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1-propyl-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 5,7-dimethyl-2-oxo-4-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1-propyl-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate is CCCn1c2c(c(N3CCN(CC=Cc4ccccc4)CC3)nc1=O)C(C)C(C(=O)OCC)C(C)=N2.
What is the InChIKey of ethyl 5,7-dimethyl-2-oxo-4-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1-propyl-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is NSGWBBRJXKZERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O3/c1-5-14-33-26-24(20(3)23(21(4)29-26)27(34)36-6-2)25(30-28(33)35)32-18-16-31(17-19-32)15-10-13-22-11-8-7-9-12-22/h7-13,20,23H,5-6,14-19H2,1-4H3.
What are the key properties of ethyl 5,7-dimethyl-2-oxo-4-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1-propyl-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
ethyl 5,7-dimethyl-2-oxo-4-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1-propyl-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 491.64 g/mol, XLogP of 3.88, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,7-dimethyl-2-oxo-4-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1-propyl-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 91483898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).