(7R)-5-[4-chloro-2-(difluoromethoxy)phenyl]-7-(2,5-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

C19H16ClF2N5O3 — CID 136752283

IUPAC(7R)-5-[4-chloro-2-(difluoromethoxy)phenyl]-7-(2,5-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(OC)c([C@H]2C=C(c3ccc(Cl)cc3OC(F)F)Nc3nnnn32)c1
InChIInChI=1S/C19H16ClF2N5O3/c1-28-11-4-6-16(29-2)13(8-11)15-9-14(23-19-24-25-26-27(15)19)12-5-3-10(20)7-17(12)30-18(21)22/h3-9,15,18H,1-2H3,(H,23,24,26)/t15-/m1/s1
InChIKeyOHLGZZXYTFVXAV-OAHLLOKOSA-N
MW435.82 g/mol
LogP4.00
Rot. Bonds6

About (7R)-5-[4-chloro-2-(difluoromethoxy)phenyl]-7-(2,5-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

(7R)-5-[4-chloro-2-(difluoromethoxy)phenyl]-7-(2,5-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 136752283) has the molecular formula C19H16ClF2N5O3 and a molecular weight of 435.82 g/mol. Its IUPAC name is (7R)-5-[4-chloro-2-(difluoromethoxy)phenyl]-7-(2,5-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name(7R)-5-[4-chloro-2-(difluoromethoxy)phenyl]-7-(2,5-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID136752283
Molecular FormulaC19H16ClF2N5O3
Molecular Weight435.82 g/mol
Exact Mass435.09
IUPAC Name(7R)-5-[4-chloro-2-(difluoromethoxy)phenyl]-7-(2,5-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(OC)c([C@H]2C=C(c3ccc(Cl)cc3OC(F)F)Nc3nnnn32)c1
InChIInChI=1S/C19H16ClF2N5O3/c1-28-11-4-6-16(29-2)13(8-11)15-9-14(23-19-24-25-26-27(15)19)12-5-3-10(20)7-17(12)30-18(21)22/h3-9,15,18H,1-2H3,(H,23,24,26)/t15-/m1/s1
InChIKeyOHLGZZXYTFVXAV-OAHLLOKOSA-N
XLogP4.00
TPSA83.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.82
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(7S)-5-[4-chloro-2-(difluoromethoxy)phenyl]-7-(2,4-dimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136736624
7-(2-chloro-6-fluorophenyl)-5-(2,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 2950297
(7S)-7-(2,5-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 136879891
5-(4-chlorophenyl)-7-(2,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3383591
7-[5-bromo-2-(difluoromethoxy)phenyl]-5-(4-chlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 4172576
5-[4-(difluoromethoxy)phenyl]-7-(2-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 4639202
(7R)-7-(2,5-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 135556988
7-(2,4-dichlorophenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3796566
5-(4-chlorophenyl)-7-(2-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 2921137
7-[5-bromo-2-(difluoromethoxy)phenyl]-5-(4-propan-2-ylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 4198536
(7R)-5-(4-methoxyphenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 136736295
(7S)-7-(2,4-dimethoxyphenyl)-5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 675369

Frequently Asked Questions

What is the IUPAC name of (7R)-5-[4-chloro-2-(difluoromethoxy)phenyl]-7-(2,5-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of (7R)-5-[4-chloro-2-(difluoromethoxy)phenyl]-7-(2,5-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 136752283) is (7R)-5-[4-chloro-2-(difluoromethoxy)phenyl]-7-(2,5-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for (7R)-5-[4-chloro-2-(difluoromethoxy)phenyl]-7-(2,5-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for (7R)-5-[4-chloro-2-(difluoromethoxy)phenyl]-7-(2,5-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is COc1ccc(OC)c([C@H]2C=C(c3ccc(Cl)cc3OC(F)F)Nc3nnnn32)c1.
What is the InChIKey of (7R)-5-[4-chloro-2-(difluoromethoxy)phenyl]-7-(2,5-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is OHLGZZXYTFVXAV-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H16ClF2N5O3/c1-28-11-4-6-16(29-2)13(8-11)15-9-14(23-19-24-25-26-27(15)19)12-5-3-10(20)7-17(12)30-18(21)22/h3-9,15,18H,1-2H3,(H,23,24,26)/t15-/m1/s1.
What are the key properties of (7R)-5-[4-chloro-2-(difluoromethoxy)phenyl]-7-(2,5-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
(7R)-5-[4-chloro-2-(difluoromethoxy)phenyl]-7-(2,5-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 435.82 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-5-[4-chloro-2-(difluoromethoxy)phenyl]-7-(2,5-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136752283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).