2-methoxy-5-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-7-azaspiro[3.5]nonan-7-yl)aniline

C23H34N6O — CID 166095449

IUPAC2-methoxy-5-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-7-azaspiro[3.5]nonan-7-yl)aniline
SMILESCOc1cc(N2CCC3(CC2)CC(N2CCNCC2)C3)c(-c2cnn(C)c2)cc1N
InChIInChI=1S/C23H34N6O/c1-27-16-17(15-26-27)19-11-20(24)22(30-2)12-21(19)29-7-3-23(4-8-29)13-18(14-23)28-9-5-25-6-10-28/h11-12,15-16,18,25H,3-10,13-14,24H2,1-2H3
InChIKeyHHCKNIYPLRDAHN-UHFFFAOYSA-N
MW410.57 g/mol
LogP2.33
Rot. Bonds4

About 2-methoxy-5-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-7-azaspiro[3.5]nonan-7-yl)aniline

2-methoxy-5-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-7-azaspiro[3.5]nonan-7-yl)aniline (PubChem CID 166095449) has the molecular formula C23H34N6O and a molecular weight of 410.57 g/mol. Its IUPAC name is 2-methoxy-5-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-7-azaspiro[3.5]nonan-7-yl)aniline.

Molecular Properties

Compound Name2-methoxy-5-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-7-azaspiro[3.5]nonan-7-yl)aniline
PubChem CID166095449
Molecular FormulaC23H34N6O
Molecular Weight410.57 g/mol
Exact Mass410.28
IUPAC Name2-methoxy-5-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-7-azaspiro[3.5]nonan-7-yl)aniline
SMILESCOc1cc(N2CCC3(CC2)CC(N2CCNCC2)C3)c(-c2cnn(C)c2)cc1N
InChIInChI=1S/C23H34N6O/c1-27-16-17(15-26-27)19-11-20(24)22(30-2)12-21(19)29-7-3-23(4-8-29)13-18(14-23)28-9-5-25-6-10-28/h11-12,15-16,18,25H,3-10,13-14,24H2,1-2H3
InChIKeyHHCKNIYPLRDAHN-UHFFFAOYSA-N
XLogP2.33
TPSA71.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.57
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-4-[4-(1-methylcyclopropyl)piperazin-1-yl]-5-(1-methylpyrazol-4-yl)aniline
CID 168838627
2-methoxy-4-[4-[4-(2-methoxyethyl)piperazin-1-yl]piperidin-1-yl]-5-(1-methylpyrazol-4-yl)aniline
CID 168838663
2-methoxy-5-(1-methylpyrazol-4-yl)-4-(4-propan-2-ylpiperazin-1-yl)aniline
CID 168838432
2-methoxy-5-(1-methylpyrazol-4-yl)-4-(4-pyridin-4-ylpiperazin-1-yl)aniline
CID 166710949
5-[4-[[3-[4-amino-5-methoxy-2-(1-methylpyrazol-4-yl)phenyl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)-6-methoxyisoindole-1,3-dione
CID 171474583
3-[5-[9-[1-[4-amino-5-methoxy-2-(1-methylpyrazol-4-yl)phenyl]piperidin-4-yl]-2,9-diazaspiro[5.5]undecan-2-yl]-1,3-dideuterio-6-fluoro-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 175801466
3-[[1-[5-methoxy-2-(1-methylpyrazol-4-yl)-4-nitrophenyl]piperidin-4-yl]methyl]-3,9-diazaspiro[5.5]undecane;hydrochloride
CID 175549379
2-methoxy-5-(1-methylpyrazol-4-yl)-4-spiro[5.5]undecan-3-ylaniline
CID 170002022
2-N-[4-[4-[7-(azetidin-3-yl)-7-azaspiro[3.5]nonan-2-yl]piperazin-1-yl]-2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]-5-bromo-4-N-(5-dimethylphosphorylquinoxalin-6-yl)pyrimidine-2,4-diamine
CID 165124686
5-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-5-(1-methylpyrazol-4-yl)phenyl]pyrimidine-2,4-diamine
CID 175472470
5-[9-[[1-[4-amino-5-methoxy-2-(1-methylpyrazol-4-yl)phenyl]piperidin-4-yl]methyl]-2,9-diazaspiro[5.5]undecan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 166095658
5-(1-ethylpyrazol-4-yl)-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline;1-[1-[2-(1-ethylpyrazol-4-yl)-5-methoxy-4-nitrophenyl]piperidin-4-yl]-4-methylpiperazine;methanol
CID 167581665

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-7-azaspiro[3.5]nonan-7-yl)aniline?
The IUPAC name of 2-methoxy-5-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-7-azaspiro[3.5]nonan-7-yl)aniline (CID 166095449) is 2-methoxy-5-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-7-azaspiro[3.5]nonan-7-yl)aniline.
What is the SMILES notation for 2-methoxy-5-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-7-azaspiro[3.5]nonan-7-yl)aniline?
The canonical SMILES for 2-methoxy-5-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-7-azaspiro[3.5]nonan-7-yl)aniline is COc1cc(N2CCC3(CC2)CC(N2CCNCC2)C3)c(-c2cnn(C)c2)cc1N.
What is the InChIKey of 2-methoxy-5-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-7-azaspiro[3.5]nonan-7-yl)aniline?
The InChIKey is HHCKNIYPLRDAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O/c1-27-16-17(15-26-27)19-11-20(24)22(30-2)12-21(19)29-7-3-23(4-8-29)13-18(14-23)28-9-5-25-6-10-28/h11-12,15-16,18,25H,3-10,13-14,24H2,1-2H3.
What are the key properties of 2-methoxy-5-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-7-azaspiro[3.5]nonan-7-yl)aniline?
2-methoxy-5-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-7-azaspiro[3.5]nonan-7-yl)aniline has a molecular weight of 410.57 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-7-azaspiro[3.5]nonan-7-yl)aniline is sourced from PubChem (CID 166095449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).