1-[1-ethyl-3-(4-phenylpiperazine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone

C26H30N6O2 — CID 26145865

IUPAC1-[1-ethyl-3-(4-phenylpiperazine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone
SMILESCCn1nc(C(=O)N2CCN(c3ccccc3)CC2)c2c1CCN(C(=O)Cc1cccnc1)C2
InChIInChI=1S/C26H30N6O2/c1-2-32-23-10-12-31(24(33)17-20-7-6-11-27-18-20)19-22(23)25(28-32)26(34)30-15-13-29(14-16-30)21-8-4-3-5-9-21/h3-9,11,18H,2,10,12-17,19H2,1H3
InChIKeyMGFHWSFTGQGKFH-UHFFFAOYSA-N
MW458.57 g/mol
LogP2.39
Rot. Bonds5

About 1-[1-ethyl-3-(4-phenylpiperazine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone

1-[1-ethyl-3-(4-phenylpiperazine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone (PubChem CID 26145865) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 1-[1-ethyl-3-(4-phenylpiperazine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[1-ethyl-3-(4-phenylpiperazine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone
PubChem CID26145865
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC Name1-[1-ethyl-3-(4-phenylpiperazine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone
SMILESCCn1nc(C(=O)N2CCN(c3ccccc3)CC2)c2c1CCN(C(=O)Cc1cccnc1)C2
InChIInChI=1S/C26H30N6O2/c1-2-32-23-10-12-31(24(33)17-20-7-6-11-27-18-20)19-22(23)25(28-32)26(34)30-15-13-29(14-16-30)21-8-4-3-5-9-21/h3-9,11,18H,2,10,12-17,19H2,1H3
InChIKeyMGFHWSFTGQGKFH-UHFFFAOYSA-N
XLogP2.39
TPSA74.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-ethyl-3-(4-phenylpiperazine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[1-ethyl-3-(4-phenylpiperazine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone (CID 26145865) is 1-[1-ethyl-3-(4-phenylpiperazine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[1-ethyl-3-(4-phenylpiperazine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[1-ethyl-3-(4-phenylpiperazine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone is CCn1nc(C(=O)N2CCN(c3ccccc3)CC2)c2c1CCN(C(=O)Cc1cccnc1)C2.
What is the InChIKey of 1-[1-ethyl-3-(4-phenylpiperazine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone?
The InChIKey is MGFHWSFTGQGKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-2-32-23-10-12-31(24(33)17-20-7-6-11-27-18-20)19-22(23)25(28-32)26(34)30-15-13-29(14-16-30)21-8-4-3-5-9-21/h3-9,11,18H,2,10,12-17,19H2,1H3.
What are the key properties of 1-[1-ethyl-3-(4-phenylpiperazine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone?
1-[1-ethyl-3-(4-phenylpiperazine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone has a molecular weight of 458.57 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-ethyl-3-(4-phenylpiperazine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 26145865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).