3-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine

C20H20N6O — CID 126475094

IUPAC3-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(Nc2ccnc3c(-c4ccc(N(C)C)cc4)cnn23)cn1
InChIInChI=1S/C20H20N6O/c1-25(2)16-7-4-14(5-8-16)17-13-23-26-18(10-11-21-20(17)26)24-15-6-9-19(27-3)22-12-15/h4-13,24H,1-3H3
InChIKeyJBYCPLAVRNQJMI-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.61
Rot. Bonds5

About 3-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine

3-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 126475094) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID126475094
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name3-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(Nc2ccnc3c(-c4ccc(N(C)C)cc4)cnn23)cn1
InChIInChI=1S/C20H20N6O/c1-25(2)16-7-4-14(5-8-16)17-13-23-26-18(10-11-21-20(17)26)24-15-6-9-19(27-3)22-12-15/h4-13,24H,1-3H3
InChIKeyJBYCPLAVRNQJMI-UHFFFAOYSA-N
XLogP3.61
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[7-[(6-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 126473903
N-[(4-fluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 126472232
3-(6-methoxy-3-pyridinyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 68754186
4-[5-[(6-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 24864574
N-methyl-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 141119651
[4-[7-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanol
CID 126474527
3-[4-(dimethylamino)phenyl]-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 174501483
3-(4-aminophenyl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 126473680
N-(6-methoxy-3-pyridinyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 59662404
3-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 68751853
7-(2-methoxyphenyl)-3-phenylpyrazolo[1,5-a]pyrimidine
CID 56737889
3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 126474913

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 126475094) is 3-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine is COc1ccc(Nc2ccnc3c(-c4ccc(N(C)C)cc4)cnn23)cn1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JBYCPLAVRNQJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-25(2)16-7-4-14(5-8-16)17-13-23-26-18(10-11-21-20(17)26)24-15-6-9-19(27-3)22-12-15/h4-13,24H,1-3H3.
What are the key properties of 3-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 360.42 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 126475094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).