4-(azepan-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine

C17H19N5 — CID 915603

IUPAC4-(azepan-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine
SMILESc1ccc(-n2ncc3c(N4CCCCCC4)ncnc32)cc1
InChIInChI=1S/C17H19N5/c1-2-7-11-21(10-6-1)16-15-12-20-22(17(15)19-13-18-16)14-8-4-3-5-9-14/h3-5,8-9,12-13H,1-2,6-7,10-11H2
InChIKeyJQSOPXUPBGHWDP-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.20
Rot. Bonds2

About 4-(azepan-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine

4-(azepan-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine (PubChem CID 915603) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-(azepan-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(azepan-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine
PubChem CID915603
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name4-(azepan-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine
SMILESc1ccc(-n2ncc3c(N4CCCCCC4)ncnc32)cc1
InChIInChI=1S/C17H19N5/c1-2-7-11-21(10-6-1)16-15-12-20-22(17(15)19-13-18-16)14-8-4-3-5-9-14/h3-5,8-9,12-13H,1-2,6-7,10-11H2
InChIKeyJQSOPXUPBGHWDP-UHFFFAOYSA-N
XLogP3.20
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

R121919
CID 9821250
4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine
CID 4879
(R)-Zinc-3573
CID 95882507
N,N'-Diphenylpyrazolo(1,5-A)(1,3,5)triazine-2,4-diamine
CID 24779674
2-(4-Ethylpiperazin-1-yl)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
CID 24779677
2-Methyl-7-(3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 736074
Benzyl-(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine
CID 219778
4-N,6-N-bis(3-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 223753
1,3-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 5327820
1H-Pyrazolo[3,4-d]pyrimidine-3,4-diamine, N,N'-diphenyl-
CID 5327823
4-[6-(4-Methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329456
Pyrazolo[1,5-a]pyrimidine, 3-phenyl-6-(4-pyridinyl)-
CID 5329460

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(azepan-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine (CID 915603) is 4-(azepan-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(azepan-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(azepan-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine is c1ccc(-n2ncc3c(N4CCCCCC4)ncnc32)cc1.
What is the InChIKey of 4-(azepan-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine?
The InChIKey is JQSOPXUPBGHWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-2-7-11-21(10-6-1)16-15-12-20-22(17(15)19-13-18-16)14-8-4-3-5-9-14/h3-5,8-9,12-13H,1-2,6-7,10-11H2.
What are the key properties of 4-(azepan-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine?
4-(azepan-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine has a molecular weight of 293.37 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 915603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).