7-(3H-inden-1-ylmethyl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine

C21H16N4 — CID 157129880

IUPAC7-(3H-inden-1-ylmethyl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine
SMILESC1=C(Cc2cc(-c3cccnc3)nc3ccnn23)c2ccccc2C1
InChIInChI=1S/C21H16N4/c1-2-6-19-15(4-1)7-8-16(19)12-18-13-20(17-5-3-10-22-14-17)24-21-9-11-23-25(18)21/h1-6,8-11,13-14H,7,12H2
InChIKeyUSQOUOLGSOBJEZ-UHFFFAOYSA-N
MW324.39 g/mol
LogP3.97
Rot. Bonds3

About 7-(3H-inden-1-ylmethyl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine

7-(3H-inden-1-ylmethyl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 157129880) has the molecular formula C21H16N4 and a molecular weight of 324.39 g/mol. Its IUPAC name is 7-(3H-inden-1-ylmethyl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3H-inden-1-ylmethyl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine
PubChem CID157129880
Molecular FormulaC21H16N4
Molecular Weight324.39 g/mol
Exact Mass324.14
IUPAC Name7-(3H-inden-1-ylmethyl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine
SMILESC1=C(Cc2cc(-c3cccnc3)nc3ccnn23)c2ccccc2C1
InChIInChI=1S/C21H16N4/c1-2-6-19-15(4-1)7-8-16(19)12-18-13-20(17-5-3-10-22-14-17)24-21-9-11-23-25(18)21/h1-6,8-11,13-14H,7,12H2
InChIKeyUSQOUOLGSOBJEZ-UHFFFAOYSA-N
XLogP3.97
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
7-(1,3-dihydroisoindol-2-yl)-5-phenylpyrazolo[1,5-a]pyrimidine
CID 70704851
2-methyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 83709189
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
2,4-diphenyl-6-pyridin-3-ylpyridine
CID 3477432
bis(2-pyridin-3-ylphenyl)methanone
CID 70483268
(5-phenyl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)hydrazine
CID 82270451
5-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 154842512
6-[(5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-5,6,7,8-tetrahydro-1H-naphthalen-2-one
CID 164962252
N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56902858
2-naphthalen-1-yl-4-(4-naphthalen-1-ylphenyl)-6-pyridin-3-ylpyrimidine
CID 155089111
4-[4-(9H-fluoren-4-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine
CID 163836972

Frequently Asked Questions

What is the IUPAC name of 7-(3H-inden-1-ylmethyl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3H-inden-1-ylmethyl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine (CID 157129880) is 7-(3H-inden-1-ylmethyl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3H-inden-1-ylmethyl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3H-inden-1-ylmethyl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine is C1=C(Cc2cc(-c3cccnc3)nc3ccnn23)c2ccccc2C1.
What is the InChIKey of 7-(3H-inden-1-ylmethyl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is USQOUOLGSOBJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4/c1-2-6-19-15(4-1)7-8-16(19)12-18-13-20(17-5-3-10-22-14-17)24-21-9-11-23-25(18)21/h1-6,8-11,13-14H,7,12H2.
What are the key properties of 7-(3H-inden-1-ylmethyl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine?
7-(3H-inden-1-ylmethyl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 324.39 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3H-inden-1-ylmethyl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 157129880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).