3-(6-methoxy-3-pyridinyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C17H15N5OS — CID 68754186

IUPAC3-(6-methoxy-3-pyridinyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2cnn3c(NCc4cccs4)ccnc23)cn1
InChIInChI=1S/C17H15N5OS/c1-23-16-5-4-12(9-20-16)14-11-21-22-15(6-7-18-17(14)22)19-10-13-3-2-8-24-13/h2-9,11,19H,10H2,1H3
InChIKeyDPVSJENSYZPCGH-UHFFFAOYSA-N
MW337.41 g/mol
LogP3.47
Rot. Bonds5

About 3-(6-methoxy-3-pyridinyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

3-(6-methoxy-3-pyridinyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 68754186) has the molecular formula C17H15N5OS and a molecular weight of 337.41 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID68754186
Molecular FormulaC17H15N5OS
Molecular Weight337.41 g/mol
Exact Mass337.10
IUPAC Name3-(6-methoxy-3-pyridinyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2cnn3c(NCc4cccs4)ccnc23)cn1
InChIInChI=1S/C17H15N5OS/c1-23-16-5-4-12(9-20-16)14-11-21-22-15(6-7-18-17(14)22)19-10-13-3-2-8-24-13/h2-9,11,19H,10H2,1H3
InChIKeyDPVSJENSYZPCGH-UHFFFAOYSA-N
XLogP3.47
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(6-methoxy-3-pyridinyl)-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 58285430
3-[7-[(6-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 126473903
3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 126473838
N-(2-morpholin-4-ylethyl)-4-[7-(2-thiophen-2-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
CID 169196849
3-(4-aminophenyl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 126473680
6-methoxy-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 103817433
N-[(2,4-dimethylphenyl)methyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 126473631
3-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 68751413
[4-[7-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanol
CID 126474527
6-methoxy-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine
CID 63655578
6-methoxy-2-methyl-N-(thiophen-2-ylmethyl)pyridin-3-amine
CID 115748960
3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 126473681

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-pyridinyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 68754186) is 3-(6-methoxy-3-pyridinyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is COc1ccc(-c2cnn3c(NCc4cccs4)ccnc23)cn1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is DPVSJENSYZPCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS/c1-23-16-5-4-12(9-20-16)14-11-21-22-15(6-7-18-17(14)22)19-10-13-3-2-8-24-13/h2-9,11,19H,10H2,1H3.
What are the key properties of 3-(6-methoxy-3-pyridinyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-(6-methoxy-3-pyridinyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 337.41 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3-pyridinyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 68754186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).