6-[4-[1-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]oxyphenyl]-3-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine

C30H33N5O3S — CID 118664540

IUPAC6-[4-[1-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]oxyphenyl]-3-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCS(=O)(=O)c1cccc(-c2cnn3cc(-c4ccc(OC5(CN6CCC7(CC6)CNC7)CC5)cc4)cnc23)c1
InChIInChI=1S/C30H33N5O3S/c1-39(36,37)26-4-2-3-23(15-26)27-17-33-35-18-24(16-32-28(27)35)22-5-7-25(8-6-22)38-30(9-10-30)21-34-13-11-29(12-14-34)19-31-20-29/h2-8,15-18,31H,9-14,19-21H2,1H3
InChIKeyXVPDOVFKUSMWEY-UHFFFAOYSA-N
MW543.69 g/mol
LogP4.06
Rot. Bonds7

About 6-[4-[1-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]oxyphenyl]-3-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine

6-[4-[1-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]oxyphenyl]-3-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 118664540) has the molecular formula C30H33N5O3S and a molecular weight of 543.69 g/mol. Its IUPAC name is 6-[4-[1-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]oxyphenyl]-3-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-[4-[1-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]oxyphenyl]-3-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID118664540
Molecular FormulaC30H33N5O3S
Molecular Weight543.69 g/mol
Exact Mass543.23
IUPAC Name6-[4-[1-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]oxyphenyl]-3-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCS(=O)(=O)c1cccc(-c2cnn3cc(-c4ccc(OC5(CN6CCC7(CC6)CNC7)CC5)cc4)cnc23)c1
InChIInChI=1S/C30H33N5O3S/c1-39(36,37)26-4-2-3-23(15-26)27-17-33-35-18-24(16-32-28(27)35)22-5-7-25(8-6-22)38-30(9-10-30)21-34-13-11-29(12-14-34)19-31-20-29/h2-8,15-18,31H,9-14,19-21H2,1H3
InChIKeyXVPDOVFKUSMWEY-UHFFFAOYSA-N
XLogP4.06
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.69
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[4-[1-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]oxyphenyl]-3-(3-methylsulfonylphenyl)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

4-[2-[4-(3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
CID 5329447
1-(2-{4-[3-(Thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy}ethyl)piperidine
CID 5329450
4-(2-{4-[3-(Thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy}ethyl)morpholine
CID 5329446
Benzyl(2-methoxyethyl)(2-{4-[3-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy}ethyl)amine
CID 5329451
4-[6-[4-[2-(1-Piperidinyl)ethoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1-naphthalenesulfonamide
CID 118664628
4-[6-[4-[1,1-Dimethyl-2-(1-piperidinyl)ethoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1-naphthalenesulfonamide
CID 118664795
3-(4-Methoxyphenyl)-6-(phenylsulfonyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 1481811
[8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-[4-(2-morpholin-4-yl-ethoxy)-phenyl]-amine
CID 67478913
6-(Tert-butylsulfonyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-ylamine
CID 1481763
3-(3-fluoro-4-methoxyphenyl)-2-methyl-N-[(3-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 177379800
3-(3-fluoro-4-methoxyphenyl)-2-methyl-N-[2-(3-methylsulfonylphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 177379803
US9580437, Example 27
CID 121432825

Frequently Asked Questions

What is the IUPAC name of 6-[4-[1-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]oxyphenyl]-3-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-[4-[1-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]oxyphenyl]-3-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine (CID 118664540) is 6-[4-[1-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]oxyphenyl]-3-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-[4-[1-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]oxyphenyl]-3-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-[4-[1-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]oxyphenyl]-3-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine is CS(=O)(=O)c1cccc(-c2cnn3cc(-c4ccc(OC5(CN6CCC7(CC6)CNC7)CC5)cc4)cnc23)c1.
What is the InChIKey of 6-[4-[1-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]oxyphenyl]-3-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is XVPDOVFKUSMWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O3S/c1-39(36,37)26-4-2-3-23(15-26)27-17-33-35-18-24(16-32-28(27)35)22-5-7-25(8-6-22)38-30(9-10-30)21-34-13-11-29(12-14-34)19-31-20-29/h2-8,15-18,31H,9-14,19-21H2,1H3.
What are the key properties of 6-[4-[1-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]oxyphenyl]-3-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine?
6-[4-[1-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]oxyphenyl]-3-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 543.69 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[1-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]oxyphenyl]-3-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 118664540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).