2-cyclohexyl-6-propan-2-yloxyindazole-5-carbaldehyde;cyclopropane;3-(methylamino)-1H-pyridin-2-one;3-[1-methyl-6-(1-methylpiperidin-4-yl)indazol-3-yl]piperidine-2,6-dione

C45H60N8O5 — CID 166472297

IUPAC2-cyclohexyl-6-propan-2-yloxyindazole-5-carbaldehyde;cyclopropane;3-(methylamino)-1H-pyridin-2-one;3-[1-methyl-6-(1-methylpiperidin-4-yl)indazol-3-yl]piperidine-2,6-dione
SMILESC1CC1.CC(C)Oc1cc2nn(C3CCCCC3)cc2cc1C=O.CN1CCC(c2ccc3c(C4CCC(=O)NC4=O)nn(C)c3c2)CC1.CNc1ccc[nH]c1=O
InChIInChI=1S/C19H24N4O2.C17H22N2O2.C6H8N2O.C3H6/c1-22-9-7-12(8-10-22)13-3-4-14-16(11-13)23(2)21-18(14)15-5-6-17(24)20-19(15)25;1-12(2)21-17-9-16-13(8-14(17)11-20)10-19(18-16)15-6-4-3-5-7-15;1-7-5-3-2-4-8-6(5)9;1-2-3-1/h3-4,11-12,15H,5-10H2,1-2H3,(H,20,24,25);8-12,15H,3-7H2,1-2H3;2-4,7H,1H3,(H,8,9);1-3H2
InChIKeyFOEFARCTNNAGSV-UHFFFAOYSA-N
MW793.03 g/mol
LogP7.63
Rot. Bonds7

About 2-cyclohexyl-6-propan-2-yloxyindazole-5-carbaldehyde;cyclopropane;3-(methylamino)-1H-pyridin-2-one;3-[1-methyl-6-(1-methylpiperidin-4-yl)indazol-3-yl]piperidine-2,6-dione

2-cyclohexyl-6-propan-2-yloxyindazole-5-carbaldehyde;cyclopropane;3-(methylamino)-1H-pyridin-2-one;3-[1-methyl-6-(1-methylpiperidin-4-yl)indazol-3-yl]piperidine-2,6-dione (PubChem CID 166472297) has the molecular formula C45H60N8O5 and a molecular weight of 793.03 g/mol. Its IUPAC name is 2-cyclohexyl-6-propan-2-yloxyindazole-5-carbaldehyde;cyclopropane;3-(methylamino)-1H-pyridin-2-one;3-[1-methyl-6-(1-methylpiperidin-4-yl)indazol-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name2-cyclohexyl-6-propan-2-yloxyindazole-5-carbaldehyde;cyclopropane;3-(methylamino)-1H-pyridin-2-one;3-[1-methyl-6-(1-methylpiperidin-4-yl)indazol-3-yl]piperidine-2,6-dione
PubChem CID166472297
Molecular FormulaC45H60N8O5
Molecular Weight793.03 g/mol
Exact Mass792.47
IUPAC Name2-cyclohexyl-6-propan-2-yloxyindazole-5-carbaldehyde;cyclopropane;3-(methylamino)-1H-pyridin-2-one;3-[1-methyl-6-(1-methylpiperidin-4-yl)indazol-3-yl]piperidine-2,6-dione
SMILESC1CC1.CC(C)Oc1cc2nn(C3CCCCC3)cc2cc1C=O.CN1CCC(c2ccc3c(C4CCC(=O)NC4=O)nn(C)c3c2)CC1.CNc1ccc[nH]c1=O
InChIInChI=1S/C19H24N4O2.C17H22N2O2.C6H8N2O.C3H6/c1-22-9-7-12(8-10-22)13-3-4-14-16(11-13)23(2)21-18(14)15-5-6-17(24)20-19(15)25;1-12(2)21-17-9-16-13(8-14(17)11-20)10-19(18-16)15-6-4-3-5-7-15;1-7-5-3-2-4-8-6(5)9;1-2-3-1/h3-4,11-12,15H,5-10H2,1-2H3,(H,20,24,25);8-12,15H,3-7H2,1-2H3;2-4,7H,1H3,(H,8,9);1-3H2
InChIKeyFOEFARCTNNAGSV-UHFFFAOYSA-N
XLogP7.63
TPSA156.24 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500793.03
LogP ≤ 57.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-propan-2-yloxyindazole-5-carbaldehyde;cyclopropane;3-(methylamino)-1H-pyridin-2-one;3-[1-methyl-6-(1-methylpiperidin-4-yl)indazol-3-yl]piperidine-2,6-dione?
The IUPAC name of 2-cyclohexyl-6-propan-2-yloxyindazole-5-carbaldehyde;cyclopropane;3-(methylamino)-1H-pyridin-2-one;3-[1-methyl-6-(1-methylpiperidin-4-yl)indazol-3-yl]piperidine-2,6-dione (CID 166472297) is 2-cyclohexyl-6-propan-2-yloxyindazole-5-carbaldehyde;cyclopropane;3-(methylamino)-1H-pyridin-2-one;3-[1-methyl-6-(1-methylpiperidin-4-yl)indazol-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 2-cyclohexyl-6-propan-2-yloxyindazole-5-carbaldehyde;cyclopropane;3-(methylamino)-1H-pyridin-2-one;3-[1-methyl-6-(1-methylpiperidin-4-yl)indazol-3-yl]piperidine-2,6-dione?
The canonical SMILES for 2-cyclohexyl-6-propan-2-yloxyindazole-5-carbaldehyde;cyclopropane;3-(methylamino)-1H-pyridin-2-one;3-[1-methyl-6-(1-methylpiperidin-4-yl)indazol-3-yl]piperidine-2,6-dione is C1CC1.CC(C)Oc1cc2nn(C3CCCCC3)cc2cc1C=O.CN1CCC(c2ccc3c(C4CCC(=O)NC4=O)nn(C)c3c2)CC1.CNc1ccc[nH]c1=O.
What is the InChIKey of 2-cyclohexyl-6-propan-2-yloxyindazole-5-carbaldehyde;cyclopropane;3-(methylamino)-1H-pyridin-2-one;3-[1-methyl-6-(1-methylpiperidin-4-yl)indazol-3-yl]piperidine-2,6-dione?
The InChIKey is FOEFARCTNNAGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2.C17H22N2O2.C6H8N2O.C3H6/c1-22-9-7-12(8-10-22)13-3-4-14-16(11-13)23(2)21-18(14)15-5-6-17(24)20-19(15)25;1-12(2)21-17-9-16-13(8-14(17)11-20)10-19(18-16)15-6-4-3-5-7-15;1-7-5-3-2-4-8-6(5)9;1-2-3-1/h3-4,11-12,15H,5-10H2,1-2H3,(H,20,24,25);8-12,15H,3-7H2,1-2H3;2-4,7H,1H3,(H,8,9);1-3H2.
What are the key properties of 2-cyclohexyl-6-propan-2-yloxyindazole-5-carbaldehyde;cyclopropane;3-(methylamino)-1H-pyridin-2-one;3-[1-methyl-6-(1-methylpiperidin-4-yl)indazol-3-yl]piperidine-2,6-dione?
2-cyclohexyl-6-propan-2-yloxyindazole-5-carbaldehyde;cyclopropane;3-(methylamino)-1H-pyridin-2-one;3-[1-methyl-6-(1-methylpiperidin-4-yl)indazol-3-yl]piperidine-2,6-dione has a molecular weight of 793.03 g/mol, XLogP of 7.63, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-propan-2-yloxyindazole-5-carbaldehyde;cyclopropane;3-(methylamino)-1H-pyridin-2-one;3-[1-methyl-6-(1-methylpiperidin-4-yl)indazol-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 166472297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).