(4-methylpiperazin-1-yl)-[5-[(1-phenylcyclopentyl)methylamino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]methanone

C28H41N5O — CID 45159141

IUPAC(4-methylpiperazin-1-yl)-[5-[(1-phenylcyclopentyl)methylamino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]methanone
SMILESCCCn1nc(C(=O)N2CCN(C)CC2)c2c1CCC(NCC1(c3ccccc3)CCCC1)C2
InChIInChI=1S/C28H41N5O/c1-3-15-33-25-12-11-23(29-21-28(13-7-8-14-28)22-9-5-4-6-10-22)20-24(25)26(30-33)27(34)32-18-16-31(2)17-19-32/h4-6,9-10,23,29H,3,7-8,11-21H2,1-2H3
InChIKeyFNDRLRMRSLWVDQ-UHFFFAOYSA-N
MW463.67 g/mol
LogP3.64
Rot. Bonds7

About (4-methylpiperazin-1-yl)-[5-[(1-phenylcyclopentyl)methylamino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]methanone

(4-methylpiperazin-1-yl)-[5-[(1-phenylcyclopentyl)methylamino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]methanone (PubChem CID 45159141) has the molecular formula C28H41N5O and a molecular weight of 463.67 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[5-[(1-phenylcyclopentyl)methylamino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[5-[(1-phenylcyclopentyl)methylamino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]methanone
PubChem CID45159141
Molecular FormulaC28H41N5O
Molecular Weight463.67 g/mol
Exact Mass463.33
IUPAC Name(4-methylpiperazin-1-yl)-[5-[(1-phenylcyclopentyl)methylamino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]methanone
SMILESCCCn1nc(C(=O)N2CCN(C)CC2)c2c1CCC(NCC1(c3ccccc3)CCCC1)C2
InChIInChI=1S/C28H41N5O/c1-3-15-33-25-12-11-23(29-21-28(13-7-8-14-28)22-9-5-4-6-10-22)20-24(25)26(30-33)27(34)32-18-16-31(2)17-19-32/h4-6,9-10,23,29H,3,7-8,11-21H2,1-2H3
InChIKeyFNDRLRMRSLWVDQ-UHFFFAOYSA-N
XLogP3.64
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.67
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(5R)-1-ethyl-5-[(1-phenylcyclohexyl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 26139421
[5-[(2-chlorophenyl)methylamino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 45160212
(4-methylpiperazin-1-yl)-[5-(2-methylpropylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 45164495
(4-methylpiperazin-1-yl)-[(5S)-1-propyl-5-(2,2,2-trifluoroethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 29169799
azepan-1-yl-[5-(2-phenylethylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 158514378
[1-ethyl-5-[(2-fluorophenyl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 45161612
1-methyl-5-[(1-phenylcyclopentyl)methylamino]-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165418
morpholin-4-yl-[(5S)-1-propyl-5-(thiophen-2-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 26231913
piperidin-1-yl-[1-propyl-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 45159093
[1-ethyl-5-(2-phenylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 45164558
[5-(prop-2-enylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone
CID 45161871
[5-[2-(4-morpholin-4-ylphenyl)ethylamino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 167341646

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[5-[(1-phenylcyclopentyl)methylamino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[5-[(1-phenylcyclopentyl)methylamino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]methanone (CID 45159141) is (4-methylpiperazin-1-yl)-[5-[(1-phenylcyclopentyl)methylamino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[5-[(1-phenylcyclopentyl)methylamino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[5-[(1-phenylcyclopentyl)methylamino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]methanone is CCCn1nc(C(=O)N2CCN(C)CC2)c2c1CCC(NCC1(c3ccccc3)CCCC1)C2.
What is the InChIKey of (4-methylpiperazin-1-yl)-[5-[(1-phenylcyclopentyl)methylamino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]methanone?
The InChIKey is FNDRLRMRSLWVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N5O/c1-3-15-33-25-12-11-23(29-21-28(13-7-8-14-28)22-9-5-4-6-10-22)20-24(25)26(30-33)27(34)32-18-16-31(2)17-19-32/h4-6,9-10,23,29H,3,7-8,11-21H2,1-2H3.
What are the key properties of (4-methylpiperazin-1-yl)-[5-[(1-phenylcyclopentyl)methylamino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]methanone?
(4-methylpiperazin-1-yl)-[5-[(1-phenylcyclopentyl)methylamino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]methanone has a molecular weight of 463.67 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[5-[(1-phenylcyclopentyl)methylamino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]methanone is sourced from PubChem (CID 45159141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).