1-propyl-6-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]pyrazolo[5,4-b]pyridine

C24H28N6 — CID 110264617

IUPAC1-propyl-6-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]pyrazolo[5,4-b]pyridine
SMILESCCCn1ncc2ccc(C3CCCN(Cc4ccc(-n5cccn5)cc4)C3)nc21
InChIInChI=1S/C24H28N6/c1-2-13-30-24-20(16-26-30)8-11-23(27-24)21-5-3-14-28(18-21)17-19-6-9-22(10-7-19)29-15-4-12-25-29/h4,6-12,15-16,21H,2-3,5,13-14,17-18H2,1H3
InChIKeyZCPPQGMTPNVNIE-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.41
Rot. Bonds6

About 1-propyl-6-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]pyrazolo[5,4-b]pyridine

1-propyl-6-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]pyrazolo[5,4-b]pyridine (PubChem CID 110264617) has the molecular formula C24H28N6 and a molecular weight of 400.53 g/mol. Its IUPAC name is 1-propyl-6-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-propyl-6-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]pyrazolo[5,4-b]pyridine
PubChem CID110264617
Molecular FormulaC24H28N6
Molecular Weight400.53 g/mol
Exact Mass400.24
IUPAC Name1-propyl-6-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]pyrazolo[5,4-b]pyridine
SMILESCCCn1ncc2ccc(C3CCCN(Cc4ccc(-n5cccn5)cc4)C3)nc21
InChIInChI=1S/C24H28N6/c1-2-13-30-24-20(16-26-30)8-11-23(27-24)21-5-3-14-28(18-21)17-19-6-9-22(10-7-19)29-15-4-12-25-29/h4,6-12,15-16,21H,2-3,5,13-14,17-18H2,1H3
InChIKeyZCPPQGMTPNVNIE-UHFFFAOYSA-N
XLogP4.41
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-ol
CID 114681410
2-[3-(1-propylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 110264604
1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carbaldehyde
CID 62660628
(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol
CID 63365329
2-methyl-4-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidine
CID 110115044
3-(3-methoxy-N-methylanilino)-1-[3-(1-propylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]propan-1-one
CID 110264625
1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917477
3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-amine
CID 79868378
1-methyl-6-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]pyrazolo[5,4-b]pyridine
CID 125017357
1-[4-[(4-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]ethanamine
CID 81497211
1-(2-methoxyphenyl)-4-[(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]piperazine
CID 28955712
[1-[[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol
CID 45209928

Frequently Asked Questions

What is the IUPAC name of 1-propyl-6-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]pyrazolo[5,4-b]pyridine?
The IUPAC name of 1-propyl-6-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]pyrazolo[5,4-b]pyridine (CID 110264617) is 1-propyl-6-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-propyl-6-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-propyl-6-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]pyrazolo[5,4-b]pyridine is CCCn1ncc2ccc(C3CCCN(Cc4ccc(-n5cccn5)cc4)C3)nc21.
What is the InChIKey of 1-propyl-6-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]pyrazolo[5,4-b]pyridine?
The InChIKey is ZCPPQGMTPNVNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6/c1-2-13-30-24-20(16-26-30)8-11-23(27-24)21-5-3-14-28(18-21)17-19-6-9-22(10-7-19)29-15-4-12-25-29/h4,6-12,15-16,21H,2-3,5,13-14,17-18H2,1H3.
What are the key properties of 1-propyl-6-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]pyrazolo[5,4-b]pyridine?
1-propyl-6-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]pyrazolo[5,4-b]pyridine has a molecular weight of 400.53 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-6-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 110264617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).