3-cyclopropyl-8-methyl-1-phenyl-5-(4-propylanilino)pyrido[2,3-d]pyrimidine-2,4,7-trione;hydrochloride

C26H27ClN4O3 — CID 160888131

IUPAC3-cyclopropyl-8-methyl-1-phenyl-5-(4-propylanilino)pyrido[2,3-d]pyrimidine-2,4,7-trione;hydrochloride
SMILESCCCc1ccc(Nc2cc(=O)n(C)c3c2c(=O)n(C2CC2)c(=O)n3-c2ccccc2)cc1.Cl
InChIInChI=1S/C26H26N4O3.ClH/c1-3-7-17-10-12-18(13-11-17)27-21-16-22(31)28(2)24-23(21)25(32)30(20-14-15-20)26(33)29(24)19-8-5-4-6-9-19;/h4-6,8-13,16,20,27H,3,7,14-15H2,1-2H3;1H
InChIKeyPEDZGNPNCVSSRV-UHFFFAOYSA-N
MW478.98 g/mol
LogP4.30
Rot. Bonds6

About 3-cyclopropyl-8-methyl-1-phenyl-5-(4-propylanilino)pyrido[2,3-d]pyrimidine-2,4,7-trione;hydrochloride

3-cyclopropyl-8-methyl-1-phenyl-5-(4-propylanilino)pyrido[2,3-d]pyrimidine-2,4,7-trione;hydrochloride (PubChem CID 160888131) has the molecular formula C26H27ClN4O3 and a molecular weight of 478.98 g/mol. Its IUPAC name is 3-cyclopropyl-8-methyl-1-phenyl-5-(4-propylanilino)pyrido[2,3-d]pyrimidine-2,4,7-trione;hydrochloride.

Molecular Properties

Compound Name3-cyclopropyl-8-methyl-1-phenyl-5-(4-propylanilino)pyrido[2,3-d]pyrimidine-2,4,7-trione;hydrochloride
PubChem CID160888131
Molecular FormulaC26H27ClN4O3
Molecular Weight478.98 g/mol
Exact Mass478.18
IUPAC Name3-cyclopropyl-8-methyl-1-phenyl-5-(4-propylanilino)pyrido[2,3-d]pyrimidine-2,4,7-trione;hydrochloride
SMILESCCCc1ccc(Nc2cc(=O)n(C)c3c2c(=O)n(C2CC2)c(=O)n3-c2ccccc2)cc1.Cl
InChIInChI=1S/C26H26N4O3.ClH/c1-3-7-17-10-12-18(13-11-17)27-21-16-22(31)28(2)24-23(21)25(32)30(20-14-15-20)26(33)29(24)19-8-5-4-6-9-19;/h4-6,8-13,16,20,27H,3,7,14-15H2,1-2H3;1H
InChIKeyPEDZGNPNCVSSRV-UHFFFAOYSA-N
XLogP4.30
TPSA78.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.98
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-8-methyl-1-phenyl-5-(4-propylanilino)pyrido[2,3-d]pyrimidine-2,4,7-trione;hydrochloride?
The IUPAC name of 3-cyclopropyl-8-methyl-1-phenyl-5-(4-propylanilino)pyrido[2,3-d]pyrimidine-2,4,7-trione;hydrochloride (CID 160888131) is 3-cyclopropyl-8-methyl-1-phenyl-5-(4-propylanilino)pyrido[2,3-d]pyrimidine-2,4,7-trione;hydrochloride.
What is the SMILES notation for 3-cyclopropyl-8-methyl-1-phenyl-5-(4-propylanilino)pyrido[2,3-d]pyrimidine-2,4,7-trione;hydrochloride?
The canonical SMILES for 3-cyclopropyl-8-methyl-1-phenyl-5-(4-propylanilino)pyrido[2,3-d]pyrimidine-2,4,7-trione;hydrochloride is CCCc1ccc(Nc2cc(=O)n(C)c3c2c(=O)n(C2CC2)c(=O)n3-c2ccccc2)cc1.Cl.
What is the InChIKey of 3-cyclopropyl-8-methyl-1-phenyl-5-(4-propylanilino)pyrido[2,3-d]pyrimidine-2,4,7-trione;hydrochloride?
The InChIKey is PEDZGNPNCVSSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3.ClH/c1-3-7-17-10-12-18(13-11-17)27-21-16-22(31)28(2)24-23(21)25(32)30(20-14-15-20)26(33)29(24)19-8-5-4-6-9-19;/h4-6,8-13,16,20,27H,3,7,14-15H2,1-2H3;1H.
What are the key properties of 3-cyclopropyl-8-methyl-1-phenyl-5-(4-propylanilino)pyrido[2,3-d]pyrimidine-2,4,7-trione;hydrochloride?
3-cyclopropyl-8-methyl-1-phenyl-5-(4-propylanilino)pyrido[2,3-d]pyrimidine-2,4,7-trione;hydrochloride has a molecular weight of 478.98 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-8-methyl-1-phenyl-5-(4-propylanilino)pyrido[2,3-d]pyrimidine-2,4,7-trione;hydrochloride is sourced from PubChem (CID 160888131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).