2,4-diethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine;hydrochloride

C25H28ClN7 — CID 139618457

IUPAC2,4-diethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine;hydrochloride
SMILESCCc1nc(CC)c2c(n1)N(Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)CCC2.Cl
InChIInChI=1S/C25H27N7.ClH/c1-3-22-21-10-7-15-32(25(21)27-23(4-2)26-22)16-17-11-13-18(14-12-17)19-8-5-6-9-20(19)24-28-30-31-29-24;/h5-6,8-9,11-14H,3-4,7,10,15-16H2,1-2H3,(H,28,29,30,31);1H
InChIKeyNJUOWCZFGFANLU-UHFFFAOYSA-N
MW462.00 g/mol
LogP4.82
Rot. Bonds6

About 2,4-diethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine;hydrochloride

2,4-diethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine;hydrochloride (PubChem CID 139618457) has the molecular formula C25H28ClN7 and a molecular weight of 462.00 g/mol. Its IUPAC name is 2,4-diethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine;hydrochloride.

Molecular Properties

Compound Name2,4-diethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine;hydrochloride
PubChem CID139618457
Molecular FormulaC25H28ClN7
Molecular Weight462.00 g/mol
Exact Mass461.21
IUPAC Name2,4-diethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine;hydrochloride
SMILESCCc1nc(CC)c2c(n1)N(Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)CCC2.Cl
InChIInChI=1S/C25H27N7.ClH/c1-3-22-21-10-7-15-32(25(21)27-23(4-2)26-22)16-17-11-13-18(14-12-17)19-8-5-6-9-20(19)24-28-30-31-29-24;/h5-6,8-9,11-14H,3-4,7,10,15-16H2,1-2H3,(H,28,29,30,31);1H
InChIKeyNJUOWCZFGFANLU-UHFFFAOYSA-N
XLogP4.82
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.00
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,4-diethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine;hydrochloride 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

5-[2-[4-[(3-tert-butyl-5-propyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19903434
(2S)-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine
CID 166638231
6-ethyl-2-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole
CID 10693016
2-ethyl-4-methyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
CID 19964612
5-[2-[4-[(5-pentyl-3-propyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19903551
5-[2-[4-[(3,5-dipentyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19903608
2,5-diethyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 57138499
5-[2-[4-[(5-ethyl-3-pentyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19903876
5-chloro-2-ethyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 22418052
2-ethyl-6-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[3,4-b]pyridin-3-one
CID 24827899
6-benzyl-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine
CID 19771734
2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-benzimidazol-4-one
CID 58153855

Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine;hydrochloride?
The IUPAC name of 2,4-diethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine;hydrochloride (CID 139618457) is 2,4-diethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine;hydrochloride.
What is the SMILES notation for 2,4-diethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine;hydrochloride?
The canonical SMILES for 2,4-diethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine;hydrochloride is CCc1nc(CC)c2c(n1)N(Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)CCC2.Cl.
What is the InChIKey of 2,4-diethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine;hydrochloride?
The InChIKey is NJUOWCZFGFANLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7.ClH/c1-3-22-21-10-7-15-32(25(21)27-23(4-2)26-22)16-17-11-13-18(14-12-17)19-8-5-6-9-20(19)24-28-30-31-29-24;/h5-6,8-9,11-14H,3-4,7,10,15-16H2,1-2H3,(H,28,29,30,31);1H.
What are the key properties of 2,4-diethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine;hydrochloride?
2,4-diethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine;hydrochloride has a molecular weight of 462.00 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine;hydrochloride is sourced from PubChem (CID 139618457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).