(4-methylpiperazin-1-yl)-[5-(2-methylpropylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]methanone

C20H35N5O — CID 45164495

IUPAC(4-methylpiperazin-1-yl)-[5-(2-methylpropylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]methanone
SMILESCCCn1nc(C(=O)N2CCN(C)CC2)c2c1CCC(NCC(C)C)C2
InChIInChI=1S/C20H35N5O/c1-5-8-25-18-7-6-16(21-14-15(2)3)13-17(18)19(22-25)20(26)24-11-9-23(4)10-12-24/h15-16,21H,5-14H2,1-4H3
InChIKeyILTVXMLDJLGAFA-UHFFFAOYSA-N
MW361.53 g/mol
LogP1.78
Rot. Bonds6

About (4-methylpiperazin-1-yl)-[5-(2-methylpropylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]methanone

(4-methylpiperazin-1-yl)-[5-(2-methylpropylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]methanone (PubChem CID 45164495) has the molecular formula C20H35N5O and a molecular weight of 361.53 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[5-(2-methylpropylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[5-(2-methylpropylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]methanone
PubChem CID45164495
Molecular FormulaC20H35N5O
Molecular Weight361.53 g/mol
Exact Mass361.28
IUPAC Name(4-methylpiperazin-1-yl)-[5-(2-methylpropylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]methanone
SMILESCCCn1nc(C(=O)N2CCN(C)CC2)c2c1CCC(NCC(C)C)C2
InChIInChI=1S/C20H35N5O/c1-5-8-25-18-7-6-16(21-14-15(2)3)13-17(18)19(22-25)20(26)24-11-9-23(4)10-12-24/h15-16,21H,5-14H2,1-4H3
InChIKeyILTVXMLDJLGAFA-UHFFFAOYSA-N
XLogP1.78
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-methylpiperazin-1-yl)-[5-(2-methylpropylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]methanone with MolForge

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Related Compounds

(4-methylpiperazin-1-yl)-[(5S)-1-propyl-5-(2,2,2-trifluoroethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 29169799
[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-[(1-phenylcyclopentyl)methylamino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 45159141
[5-(prop-2-enylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone
CID 45161871
[5-(butylamino)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 45162562
azepan-1-yl-[5-(2-phenylethylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 158514378
morpholin-4-yl-[(5S)-1-propyl-5-(thiophen-2-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 26231913
[5-(cyclopropylmethylamino)-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 45163430
[5-(3-methylbutylamino)-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 45162186
[5-(cycloheptylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 45164358
[1-ethyl-5-[(2-fluorophenyl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 45161612
[5-(cyclohexylmethylamino)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 45162837

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[5-(2-methylpropylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[5-(2-methylpropylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]methanone (CID 45164495) is (4-methylpiperazin-1-yl)-[5-(2-methylpropylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[5-(2-methylpropylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[5-(2-methylpropylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]methanone is CCCn1nc(C(=O)N2CCN(C)CC2)c2c1CCC(NCC(C)C)C2.
What is the InChIKey of (4-methylpiperazin-1-yl)-[5-(2-methylpropylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]methanone?
The InChIKey is ILTVXMLDJLGAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O/c1-5-8-25-18-7-6-16(21-14-15(2)3)13-17(18)19(22-25)20(26)24-11-9-23(4)10-12-24/h15-16,21H,5-14H2,1-4H3.
What are the key properties of (4-methylpiperazin-1-yl)-[5-(2-methylpropylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]methanone?
(4-methylpiperazin-1-yl)-[5-(2-methylpropylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]methanone has a molecular weight of 361.53 g/mol, XLogP of 1.78, 6 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-(2-methylpropylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]methanone is sourced from PubChem (CID 45164495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).