5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine

C22H29N5 — CID 120769010

IUPAC5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine
SMILESCCc1ccc(C2CNCCN2Cc2cnc3c(cnn3C(C)C)c2)cc1
InChIInChI=1S/C22H29N5/c1-4-17-5-7-19(8-6-17)21-14-23-9-10-26(21)15-18-11-20-13-25-27(16(2)3)22(20)24-12-18/h5-8,11-13,16,21,23H,4,9-10,14-15H2,1-3H3
InChIKeyLKBDNYBAPXOSBV-UHFFFAOYSA-N
MW363.51 g/mol
LogP3.72
Rot. Bonds5

About 5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine

5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine (PubChem CID 120769010) has the molecular formula C22H29N5 and a molecular weight of 363.51 g/mol. Its IUPAC name is 5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine
PubChem CID120769010
Molecular FormulaC22H29N5
Molecular Weight363.51 g/mol
Exact Mass363.24
IUPAC Name5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine
SMILESCCc1ccc(C2CNCCN2Cc2cnc3c(cnn3C(C)C)c2)cc1
InChIInChI=1S/C22H29N5/c1-4-17-5-7-19(8-6-17)21-14-23-9-10-26(21)15-18-11-20-13-25-27(16(2)3)22(20)24-12-18/h5-8,11-13,16,21,23H,4,9-10,14-15H2,1-3H3
InChIKeyLKBDNYBAPXOSBV-UHFFFAOYSA-N
XLogP3.72
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine with MolForge

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Related Compounds

5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine;hydrochloride
CID 120780080
2-(4-ethylphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120769087
2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-5-methylpyrazine;dihydrochloride
CID 120758162
5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 120846605
2-(4-ethylphenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine
CID 120769132
2-(4-ethylphenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine
CID 120769026
3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole;hydrochloride
CID 120758108
2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride
CID 120769103
5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-4-methyl-1,3-thiazole
CID 120769012
4-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]benzamide;hydrochloride
CID 120758148
2-(4-ethylphenyl)-1-[(3-methyl-2-pyridinyl)methyl]piperazine;hydrochloride
CID 120769097
1-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910039

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine?
The IUPAC name of 5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine (CID 120769010) is 5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine is CCc1ccc(C2CNCCN2Cc2cnc3c(cnn3C(C)C)c2)cc1.
What is the InChIKey of 5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine?
The InChIKey is LKBDNYBAPXOSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5/c1-4-17-5-7-19(8-6-17)21-14-23-9-10-26(21)15-18-11-20-13-25-27(16(2)3)22(20)24-12-18/h5-8,11-13,16,21,23H,4,9-10,14-15H2,1-3H3.
What are the key properties of 5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine?
5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine has a molecular weight of 363.51 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 120769010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).