6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)-5-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C24H25N5OS — CID 67494568

IUPAC6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)-5-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1c(C2CCSCC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N
InChIInChI=1S/C24H25N5OS/c1-30-15-20-22(17-9-11-31-12-10-17)28-24-19(14-27-29(24)23(20)25)18-7-8-21(26-13-18)16-5-3-2-4-6-16/h2-8,13-14,17H,9-12,15,25H2,1H3
InChIKeyXMJCUEPHYRLOPG-UHFFFAOYSA-N
MW431.57 g/mol
LogP4.80
Rot. Bonds5

About 6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)-5-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)-5-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 67494568) has the molecular formula C24H25N5OS and a molecular weight of 431.57 g/mol. Its IUPAC name is 6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)-5-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)-5-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID67494568
Molecular FormulaC24H25N5OS
Molecular Weight431.57 g/mol
Exact Mass431.18
IUPAC Name6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)-5-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1c(C2CCSCC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N
InChIInChI=1S/C24H25N5OS/c1-30-15-20-22(17-9-11-31-12-10-17)28-24-19(14-27-29(24)23(20)25)18-7-8-21(26-13-18)16-5-3-2-4-6-16/h2-8,13-14,17H,9-12,15,25H2,1H3
InChIKeyXMJCUEPHYRLOPG-UHFFFAOYSA-N
XLogP4.80
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.57
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)-5-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol
CID 66583988
4-[7-amino-6-methylsulfonyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylic acid
CID 56849128
(2S)-2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-hydroxyacetic acid
CID 66733314
1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxy-3-methoxy-2-(methoxymethyl)propan-1-one
CID 70216319
(2S)-2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid
CID 87130735
3-[7-amino-5-[1-(2-methylsulfonylacetyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanal
CID 163422473
5-(8-azabicyclo[3.2.1]octan-3-yl)-6-iodo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 77261166
1-[3-[7-amino-6-methylsulfonyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone
CID 71128131
6-[7-amino-6-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]spiro[2.5]octane-2-carboxylic acid
CID 91170541
(5R)-3-[7-amino-6-methylsulfonyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octane-8-carbaldehyde
CID 118629394
7-amino-5-[4-(1-ethoxyethyl)-4-methylcyclohexyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 123404847
1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(2H-tetrazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 70218680

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)-5-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)-5-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 67494568) is 6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)-5-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)-5-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)-5-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is COCc1c(C2CCSCC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.
What is the InChIKey of 6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)-5-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is XMJCUEPHYRLOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5OS/c1-30-15-20-22(17-9-11-31-12-10-17)28-24-19(14-27-29(24)23(20)25)18-7-8-21(26-13-18)16-5-3-2-4-6-16/h2-8,13-14,17H,9-12,15,25H2,1H3.
What are the key properties of 6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)-5-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)-5-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 431.57 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)-5-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 67494568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).