6-[(5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-5,6,7,8-tetrahydro-1H-naphthalen-2-one

C21H19N5O — CID 164962252

IUPAC6-[(5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-5,6,7,8-tetrahydro-1H-naphthalen-2-one
SMILESO=C1C=CC2=C(CCC(Nc3cc(-c4cccnc4)nc4ccnn34)C2)C1
InChIInChI=1S/C21H19N5O/c27-18-6-4-14-10-17(5-3-15(14)11-18)24-21-12-19(16-2-1-8-22-13-16)25-20-7-9-23-26(20)21/h1-2,4,6-9,12-13,17,24H,3,5,10-11H2
InChIKeyJLKTVYVAYCHUQF-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.58
Rot. Bonds3

About 6-[(5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-5,6,7,8-tetrahydro-1H-naphthalen-2-one

6-[(5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-5,6,7,8-tetrahydro-1H-naphthalen-2-one (PubChem CID 164962252) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 6-[(5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-5,6,7,8-tetrahydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name6-[(5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-5,6,7,8-tetrahydro-1H-naphthalen-2-one
PubChem CID164962252
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name6-[(5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-5,6,7,8-tetrahydro-1H-naphthalen-2-one
SMILESO=C1C=CC2=C(CCC(Nc3cc(-c4cccnc4)nc4ccnn34)C2)C1
InChIInChI=1S/C21H19N5O/c27-18-6-4-14-10-17(5-3-15(14)11-18)24-21-12-19(16-2-1-8-22-13-16)25-20-7-9-23-26(20)21/h1-2,4,6-9,12-13,17,24H,3,5,10-11H2
InChIKeyJLKTVYVAYCHUQF-UHFFFAOYSA-N
XLogP3.58
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;N-[2-(3H-inden-1-yl)ethyl]-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 159381763
5-(5-methyl-3-pyridinyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 165033373
ethane;N-[2-(3H-inden-1-yl)ethyl]-5-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-(5-methyl-3-pyridinyl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-(5-methyl-3-pyridinyl)-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(5-methyl-3-pyridinyl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(5-methyl-3-pyridinyl)-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 158281730
trans-(1S,3S)-3-N-[5-(4-cyclopropylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 146558697
trans-(1S,3S)-3-N-[5-(3-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 146558705
[(1R,2R,4R,5R)-5-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-bicyclo[2.2.1]heptanyl]methanol
CID 166380412
(5-phenyl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)hydrazine
CID 82270451
7-(3H-inden-1-ylmethyl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine
CID 157129880
5-N-cyclohexyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine
CID 86235182
5-(5-fluoro-3-pyridinyl)-N-(8-fluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl)-3-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 158678850
5-(3-chlorophenoxy)-N-cyclopropylpyrazolo[1,5-a]pyrimidin-7-amine
CID 141302527
N-[(1R,3R)-3-[(5-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]formamide
CID 146558614

Frequently Asked Questions

What is the IUPAC name of 6-[(5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-5,6,7,8-tetrahydro-1H-naphthalen-2-one?
The IUPAC name of 6-[(5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-5,6,7,8-tetrahydro-1H-naphthalen-2-one (CID 164962252) is 6-[(5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-5,6,7,8-tetrahydro-1H-naphthalen-2-one.
What is the SMILES notation for 6-[(5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-5,6,7,8-tetrahydro-1H-naphthalen-2-one?
The canonical SMILES for 6-[(5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-5,6,7,8-tetrahydro-1H-naphthalen-2-one is O=C1C=CC2=C(CCC(Nc3cc(-c4cccnc4)nc4ccnn34)C2)C1.
What is the InChIKey of 6-[(5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-5,6,7,8-tetrahydro-1H-naphthalen-2-one?
The InChIKey is JLKTVYVAYCHUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c27-18-6-4-14-10-17(5-3-15(14)11-18)24-21-12-19(16-2-1-8-22-13-16)25-20-7-9-23-26(20)21/h1-2,4,6-9,12-13,17,24H,3,5,10-11H2.
What are the key properties of 6-[(5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-5,6,7,8-tetrahydro-1H-naphthalen-2-one?
6-[(5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-5,6,7,8-tetrahydro-1H-naphthalen-2-one has a molecular weight of 357.42 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-5,6,7,8-tetrahydro-1H-naphthalen-2-one is sourced from PubChem (CID 164962252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).