(7S)-7-(3-fluorophenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

C17H14FN5O — CID 136742955

IUPAC(7S)-7-(3-fluorophenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1cccc(C2=C[C@@H](c3cccc(F)c3)n3nnnc3N2)c1
InChIInChI=1S/C17H14FN5O/c1-24-14-7-3-4-11(9-14)15-10-16(12-5-2-6-13(18)8-12)23-17(19-15)20-21-22-23/h2-10,16H,1H3,(H,19,20,22)/t16-/m0/s1
InChIKeyBCAHZSKBSMOPGE-INIZCTEOSA-N
MW323.33 g/mol
LogP2.88
Rot. Bonds3

About (7S)-7-(3-fluorophenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

(7S)-7-(3-fluorophenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 136742955) has the molecular formula C17H14FN5O and a molecular weight of 323.33 g/mol. Its IUPAC name is (7S)-7-(3-fluorophenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name(7S)-7-(3-fluorophenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID136742955
Molecular FormulaC17H14FN5O
Molecular Weight323.33 g/mol
Exact Mass323.12
IUPAC Name(7S)-7-(3-fluorophenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1cccc(C2=C[C@@H](c3cccc(F)c3)n3nnnc3N2)c1
InChIInChI=1S/C17H14FN5O/c1-24-14-7-3-4-11(9-14)15-10-16(12-5-2-6-13(18)8-12)23-17(19-15)20-21-22-23/h2-10,16H,1H3,(H,19,20,22)/t16-/m0/s1
InChIKeyBCAHZSKBSMOPGE-INIZCTEOSA-N
XLogP2.88
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(7S)-5-(4-fluorophenyl)-7-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 950889
5-(3-methoxyphenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 661596
(7S)-7-(4-bromophenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 136852403
7-(3-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 4586822
7-(3-fluorophenyl)-5-(3-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2968875
5-(4-ethylphenyl)-7-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 4121049
7-(2,4-dichlorophenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3796566
(7R)-5-(4-methoxyphenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 686428
7-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3155612
(7S)-7-(2,4-dimethoxyphenyl)-5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 675369
(7S)-5-(4-fluorophenyl)-7-(3,4,5-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 135603085
(7S)-7-(3-methylphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 136736455

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(3-fluorophenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of (7S)-7-(3-fluorophenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 136742955) is (7S)-7-(3-fluorophenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for (7S)-7-(3-fluorophenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for (7S)-7-(3-fluorophenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is COc1cccc(C2=C[C@@H](c3cccc(F)c3)n3nnnc3N2)c1.
What is the InChIKey of (7S)-7-(3-fluorophenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is BCAHZSKBSMOPGE-INIZCTEOSA-N. The full InChI is InChI=1S/C17H14FN5O/c1-24-14-7-3-4-11(9-14)15-10-16(12-5-2-6-13(18)8-12)23-17(19-15)20-21-22-23/h2-10,16H,1H3,(H,19,20,22)/t16-/m0/s1.
What are the key properties of (7S)-7-(3-fluorophenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
(7S)-7-(3-fluorophenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 323.33 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(3-fluorophenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136742955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).