7-cyclohexyl-6-[4-(pyridin-3-ylmethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine

C25H24N8O — CID 15958077

IUPAC7-cyclohexyl-6-[4-(pyridin-3-ylmethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
SMILESc1cncc(COc2ccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3C3CCCCC3)cc2)c1
InChIInChI=1S/C25H24N8O/c1-2-6-19(7-3-1)23-21(14-27-25-22(15-28-33(23)25)24-29-31-32-30-24)18-8-10-20(11-9-18)34-16-17-5-4-12-26-13-17/h4-5,8-15,19H,1-3,6-7,16H2,(H,29,30,31,32)
InChIKeySIGOGTSQGFBPOW-UHFFFAOYSA-N
MW452.52 g/mol
LogP4.60
Rot. Bonds6

About 7-cyclohexyl-6-[4-(pyridin-3-ylmethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine

7-cyclohexyl-6-[4-(pyridin-3-ylmethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 15958077) has the molecular formula C25H24N8O and a molecular weight of 452.52 g/mol. Its IUPAC name is 7-cyclohexyl-6-[4-(pyridin-3-ylmethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-cyclohexyl-6-[4-(pyridin-3-ylmethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID15958077
Molecular FormulaC25H24N8O
Molecular Weight452.52 g/mol
Exact Mass452.21
IUPAC Name7-cyclohexyl-6-[4-(pyridin-3-ylmethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
SMILESc1cncc(COc2ccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3C3CCCCC3)cc2)c1
InChIInChI=1S/C25H24N8O/c1-2-6-19(7-3-1)23-21(14-27-25-22(15-28-33(23)25)24-29-31-32-30-24)18-8-10-20(11-9-18)34-16-17-5-4-12-26-13-17/h4-5,8-15,19H,1-3,6-7,16H2,(H,29,30,31,32)
InChIKeySIGOGTSQGFBPOW-UHFFFAOYSA-N
XLogP4.60
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-cyclohexyl-6-[4-(pyridin-3-ylmethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine 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

7-cyclohexyl-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
CID 15957966
7-cycloheptyl-6-(4-phenylphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
CID 142838320
7-cyclohexyl-3-(2H-tetrazol-5-yl)-6-[3-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]pyrazolo[1,5-a]pyrimidine
CID 15957998
6-[4-(1,3-benzodioxol-5-yloxy)phenyl]-7-cyclohexyl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
CID 15958044
7-cyclohexyl-6-[3-(3-methoxyphenoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
CID 15957975
N-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]propane-2-sulfonamide
CID 15958097
N-cyano-7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 15958107
methyl 4-[[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]amino]-4-oxobutanoate
CID 15958094
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
[6-[4-(cyclohexa-1,3-dien-1-ylmethoxy)phenyl]-7-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl]methanol
CID 142837939
(3S)-3-[4-(pyridin-3-ylmethoxy)phenoxy]azepan-2-one
CID 99839308
3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]pyridine
CID 82245169

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-6-[4-(pyridin-3-ylmethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-cyclohexyl-6-[4-(pyridin-3-ylmethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine (CID 15958077) is 7-cyclohexyl-6-[4-(pyridin-3-ylmethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-cyclohexyl-6-[4-(pyridin-3-ylmethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-cyclohexyl-6-[4-(pyridin-3-ylmethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine is c1cncc(COc2ccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3C3CCCCC3)cc2)c1.
What is the InChIKey of 7-cyclohexyl-6-[4-(pyridin-3-ylmethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is SIGOGTSQGFBPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8O/c1-2-6-19(7-3-1)23-21(14-27-25-22(15-28-33(23)25)24-29-31-32-30-24)18-8-10-20(11-9-18)34-16-17-5-4-12-26-13-17/h4-5,8-15,19H,1-3,6-7,16H2,(H,29,30,31,32).
What are the key properties of 7-cyclohexyl-6-[4-(pyridin-3-ylmethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
7-cyclohexyl-6-[4-(pyridin-3-ylmethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 452.52 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-6-[4-(pyridin-3-ylmethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 15958077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).