piperidin-1-yl-[1-propyl-5-(3-pyridin-4-ylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone

C24H34N4O — CID 149071006

IUPACpiperidin-1-yl-[1-propyl-5-(3-pyridin-4-ylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone
SMILESCCCn1nc(C(=O)N2CCCCC2)c2c1CCC(CCCc1ccncc1)C2
InChIInChI=1S/C24H34N4O/c1-2-15-28-22-10-9-20(8-6-7-19-11-13-25-14-12-19)18-21(22)23(26-28)24(29)27-16-4-3-5-17-27/h11-14,20H,2-10,15-18H2,1H3
InChIKeyQNUFCPZYAAWSEH-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.44
Rot. Bonds7

About piperidin-1-yl-[1-propyl-5-(3-pyridin-4-ylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone

piperidin-1-yl-[1-propyl-5-(3-pyridin-4-ylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone (PubChem CID 149071006) has the molecular formula C24H34N4O and a molecular weight of 394.56 g/mol. Its IUPAC name is piperidin-1-yl-[1-propyl-5-(3-pyridin-4-ylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[1-propyl-5-(3-pyridin-4-ylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone
PubChem CID149071006
Molecular FormulaC24H34N4O
Molecular Weight394.56 g/mol
Exact Mass394.27
IUPAC Namepiperidin-1-yl-[1-propyl-5-(3-pyridin-4-ylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone
SMILESCCCn1nc(C(=O)N2CCCCC2)c2c1CCC(CCCc1ccncc1)C2
InChIInChI=1S/C24H34N4O/c1-2-15-28-22-10-9-20(8-6-7-19-11-13-25-14-12-19)18-21(22)23(26-28)24(29)27-16-4-3-5-17-27/h11-14,20H,2-10,15-18H2,1H3
InChIKeyQNUFCPZYAAWSEH-UHFFFAOYSA-N
XLogP4.44
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[1-propyl-5-(3-pyridin-4-ylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone?
The IUPAC name of piperidin-1-yl-[1-propyl-5-(3-pyridin-4-ylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone (CID 149071006) is piperidin-1-yl-[1-propyl-5-(3-pyridin-4-ylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[1-propyl-5-(3-pyridin-4-ylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone?
The canonical SMILES for piperidin-1-yl-[1-propyl-5-(3-pyridin-4-ylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone is CCCn1nc(C(=O)N2CCCCC2)c2c1CCC(CCCc1ccncc1)C2.
What is the InChIKey of piperidin-1-yl-[1-propyl-5-(3-pyridin-4-ylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone?
The InChIKey is QNUFCPZYAAWSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O/c1-2-15-28-22-10-9-20(8-6-7-19-11-13-25-14-12-19)18-21(22)23(26-28)24(29)27-16-4-3-5-17-27/h11-14,20H,2-10,15-18H2,1H3.
What are the key properties of piperidin-1-yl-[1-propyl-5-(3-pyridin-4-ylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone?
piperidin-1-yl-[1-propyl-5-(3-pyridin-4-ylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone has a molecular weight of 394.56 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[1-propyl-5-(3-pyridin-4-ylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone is sourced from PubChem (CID 149071006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).