2-methyl-6-(4-piperidin-1-ylanilino)-1H-indazol-3-one

C19H22N4O — CID 167300637

IUPAC2-methyl-6-(4-piperidin-1-ylanilino)-1H-indazol-3-one
SMILESCn1[nH]c2cc(Nc3ccc(N4CCCCC4)cc3)ccc2c1=O
InChIInChI=1S/C19H22N4O/c1-22-19(24)17-10-7-15(13-18(17)21-22)20-14-5-8-16(9-6-14)23-11-3-2-4-12-23/h5-10,13,20-21H,2-4,11-12H2,1H3
InChIKeyAKNDCWVALYZJIP-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.60
Rot. Bonds3

About 2-methyl-6-(4-piperidin-1-ylanilino)-1H-indazol-3-one

2-methyl-6-(4-piperidin-1-ylanilino)-1H-indazol-3-one (PubChem CID 167300637) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-methyl-6-(4-piperidin-1-ylanilino)-1H-indazol-3-one.

Molecular Properties

Compound Name2-methyl-6-(4-piperidin-1-ylanilino)-1H-indazol-3-one
PubChem CID167300637
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-methyl-6-(4-piperidin-1-ylanilino)-1H-indazol-3-one
SMILESCn1[nH]c2cc(Nc3ccc(N4CCCCC4)cc3)ccc2c1=O
InChIInChI=1S/C19H22N4O/c1-22-19(24)17-10-7-15(13-18(17)21-22)20-14-5-8-16(9-6-14)23-11-3-2-4-12-23/h5-10,13,20-21H,2-4,11-12H2,1H3
InChIKeyAKNDCWVALYZJIP-UHFFFAOYSA-N
XLogP3.60
TPSA53.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Related Compounds

1,2-dimethyl-6-[4-(4-methylpiperidin-1-yl)anilino]indazol-3-one
CID 167300552
methyl N-[4-(4-piperidin-1-ylanilino)phenyl]carbamate
CID 112988794
6-(4-pyrrolidin-1-ylanilino)-1H-pyrimidine-2,4-dione
CID 685419
3-ethyl-2,4-dioxo-N-(4-piperidin-1-ylphenyl)-1H-quinazoline-7-carboxamide
CID 55810948
2-methyl-1,3-dioxo-N-(4-piperidin-1-ylphenyl)isoindole-5-carboxamide
CID 26289690
1,4,6-trimethyl-2-oxo-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 110862214
(4-methylpiperazin-1-yl)-[4-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone
CID 109208189
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
N-methyl-N-[2-methyl-5-(4-piperidin-1-ylanilino)anilino]formamide
CID 167300151
4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxylic acid
CID 63180412
3-N-ethyl-5-N-(4-pyrrolidin-1-ylphenyl)pyridine-3,5-diamine
CID 104534517
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]propanamide
CID 112988748

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-piperidin-1-ylanilino)-1H-indazol-3-one?
The IUPAC name of 2-methyl-6-(4-piperidin-1-ylanilino)-1H-indazol-3-one (CID 167300637) is 2-methyl-6-(4-piperidin-1-ylanilino)-1H-indazol-3-one.
What is the SMILES notation for 2-methyl-6-(4-piperidin-1-ylanilino)-1H-indazol-3-one?
The canonical SMILES for 2-methyl-6-(4-piperidin-1-ylanilino)-1H-indazol-3-one is Cn1[nH]c2cc(Nc3ccc(N4CCCCC4)cc3)ccc2c1=O.
What is the InChIKey of 2-methyl-6-(4-piperidin-1-ylanilino)-1H-indazol-3-one?
The InChIKey is AKNDCWVALYZJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-22-19(24)17-10-7-15(13-18(17)21-22)20-14-5-8-16(9-6-14)23-11-3-2-4-12-23/h5-10,13,20-21H,2-4,11-12H2,1H3.
What are the key properties of 2-methyl-6-(4-piperidin-1-ylanilino)-1H-indazol-3-one?
2-methyl-6-(4-piperidin-1-ylanilino)-1H-indazol-3-one has a molecular weight of 322.41 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-piperidin-1-ylanilino)-1H-indazol-3-one is sourced from PubChem (CID 167300637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).