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

C23H23N7 — CID 10430919

IUPAC2,4-dimethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine
SMILESCc1nc(C)c2c(n1)N(Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)CCC2
InChIInChI=1S/C23H23N7/c1-15-19-8-5-13-30(23(19)25-16(2)24-15)14-17-9-11-18(12-10-17)20-6-3-4-7-21(20)22-26-28-29-27-22/h3-4,6-7,9-12H,5,8,13-14H2,1-2H3,(H,26,27,28,29)
InChIKeyCRPBWMYAUJNKOV-UHFFFAOYSA-N
MW397.49 g/mol
LogP3.89
Rot. Bonds4

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

2,4-dimethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine (PubChem CID 10430919) has the molecular formula C23H23N7 and a molecular weight of 397.49 g/mol. Its IUPAC name is 2,4-dimethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name2,4-dimethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine
PubChem CID10430919
Molecular FormulaC23H23N7
Molecular Weight397.49 g/mol
Exact Mass397.20
IUPAC Name2,4-dimethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine
SMILESCc1nc(C)c2c(n1)N(Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)CCC2
InChIInChI=1S/C23H23N7/c1-15-19-8-5-13-30(23(19)25-16(2)24-15)14-17-9-11-18(12-10-17)20-6-3-4-7-21(20)22-26-28-29-27-22/h3-4,6-7,9-12H,5,8,13-14H2,1-2H3,(H,26,27,28,29)
InChIKeyCRPBWMYAUJNKOV-UHFFFAOYSA-N
XLogP3.89
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine?
The IUPAC name of 2,4-dimethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine (CID 10430919) is 2,4-dimethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 2,4-dimethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine?
The canonical SMILES for 2,4-dimethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine is Cc1nc(C)c2c(n1)N(Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)CCC2.
What is the InChIKey of 2,4-dimethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine?
The InChIKey is CRPBWMYAUJNKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7/c1-15-19-8-5-13-30(23(19)25-16(2)24-15)14-17-9-11-18(12-10-17)20-6-3-4-7-21(20)22-26-28-29-27-22/h3-4,6-7,9-12H,5,8,13-14H2,1-2H3,(H,26,27,28,29).
What are the key properties of 2,4-dimethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine?
2,4-dimethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine has a molecular weight of 397.49 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 10430919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).