(3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-(4-methylpiperazin-1-yl)phenyl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(4-piperidin-1-ylphenyl)indazol-4-yl]oxyethyl]cyclopentan-1-one

C74H91N11O6 — CID 158234856

IUPAC(3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-(4-methylpiperazin-1-yl)phenyl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(4-piperidin-1-ylphenyl)indazol-4-yl]oxyethyl]cyclopentan-1-one
SMILESC[C@@H](Oc1cc(-c2ccc(N3CCCCC3)cc2)cc2nn(C)cc12)[C@H]1CCC(=O)C1.C[C@@H](Oc1cc(-c2ccc(N3CCN(C)CC3)cc2)cc2nn(C)cc12)[C@H]1CCC(=O)C1.C[C@@H](Oc1cc(-c2cnn(C(C)(C)C)c2)cc2nn(C)cc12)[C@H]1CCC(=O)C1
InChIInChI=1S/C26H32N4O2.C26H31N3O2.C22H28N4O2/c1-18(20-6-9-23(31)14-20)32-26-16-21(15-25-24(26)17-29(3)27-25)19-4-7-22(8-5-19)30-12-10-28(2)11-13-30;1-18(20-8-11-23(30)14-20)31-26-16-21(15-25-24(26)17-28(2)27-25)19-6-9-22(10-7-19)29-12-4-3-5-13-29;1-14(15-6-7-18(27)8-15)28-21-10-16(9-20-19(21)13-25(5)24-20)17-11-23-26(12-17)22(2,3)4/h4-5,7-8,15-18,20H,6,9-14H2,1-3H3;6-7,9-10,15-18,20H,3-5,8,11-14H2,1-2H3;9-15H,6-8H2,1-5H3/t2*18-,20+;14-,15+/m111/s1
InChIKeyGEVJZDBEHSRLLC-QNVFWTOGSA-N
MW1230.61 g/mol
LogP13.82
Rot. Bonds14

About (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-(4-methylpiperazin-1-yl)phenyl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(4-piperidin-1-ylphenyl)indazol-4-yl]oxyethyl]cyclopentan-1-one

(3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-(4-methylpiperazin-1-yl)phenyl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(4-piperidin-1-ylphenyl)indazol-4-yl]oxyethyl]cyclopentan-1-one (PubChem CID 158234856) has the molecular formula C74H91N11O6 and a molecular weight of 1230.61 g/mol. Its IUPAC name is (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-(4-methylpiperazin-1-yl)phenyl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(4-piperidin-1-ylphenyl)indazol-4-yl]oxyethyl]cyclopentan-1-one.

Molecular Properties

Compound Name(3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-(4-methylpiperazin-1-yl)phenyl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(4-piperidin-1-ylphenyl)indazol-4-yl]oxyethyl]cyclopentan-1-one
PubChem CID158234856
Molecular FormulaC74H91N11O6
Molecular Weight1230.61 g/mol
Exact Mass1229.72
IUPAC Name(3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-(4-methylpiperazin-1-yl)phenyl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(4-piperidin-1-ylphenyl)indazol-4-yl]oxyethyl]cyclopentan-1-one
SMILESC[C@@H](Oc1cc(-c2ccc(N3CCCCC3)cc2)cc2nn(C)cc12)[C@H]1CCC(=O)C1.C[C@@H](Oc1cc(-c2ccc(N3CCN(C)CC3)cc2)cc2nn(C)cc12)[C@H]1CCC(=O)C1.C[C@@H](Oc1cc(-c2cnn(C(C)(C)C)c2)cc2nn(C)cc12)[C@H]1CCC(=O)C1
InChIInChI=1S/C26H32N4O2.C26H31N3O2.C22H28N4O2/c1-18(20-6-9-23(31)14-20)32-26-16-21(15-25-24(26)17-29(3)27-25)19-4-7-22(8-5-19)30-12-10-28(2)11-13-30;1-18(20-8-11-23(30)14-20)31-26-16-21(15-25-24(26)17-28(2)27-25)19-6-9-22(10-7-19)29-12-4-3-5-13-29;1-14(15-6-7-18(27)8-15)28-21-10-16(9-20-19(21)13-25(5)24-20)17-11-23-26(12-17)22(2,3)4/h4-5,7-8,15-18,20H,6,9-14H2,1-3H3;6-7,9-10,15-18,20H,3-5,8,11-14H2,1-2H3;9-15H,6-8H2,1-5H3/t2*18-,20+;14-,15+/m111/s1
InChIKeyGEVJZDBEHSRLLC-QNVFWTOGSA-N
XLogP13.82
TPSA159.90 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds14
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001230.61
LogP ≤ 513.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-(4-methylpiperazin-1-yl)phenyl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(4-piperidin-1-ylphenyl)indazol-4-yl]oxyethyl]cyclopentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-(4-methylpiperazin-1-yl)phenyl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(4-piperidin-1-ylphenyl)indazol-4-yl]oxyethyl]cyclopentan-1-one?
The IUPAC name of (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-(4-methylpiperazin-1-yl)phenyl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(4-piperidin-1-ylphenyl)indazol-4-yl]oxyethyl]cyclopentan-1-one (CID 158234856) is (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-(4-methylpiperazin-1-yl)phenyl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(4-piperidin-1-ylphenyl)indazol-4-yl]oxyethyl]cyclopentan-1-one.
What is the SMILES notation for (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-(4-methylpiperazin-1-yl)phenyl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(4-piperidin-1-ylphenyl)indazol-4-yl]oxyethyl]cyclopentan-1-one?
The canonical SMILES for (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-(4-methylpiperazin-1-yl)phenyl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(4-piperidin-1-ylphenyl)indazol-4-yl]oxyethyl]cyclopentan-1-one is C[C@@H](Oc1cc(-c2ccc(N3CCCCC3)cc2)cc2nn(C)cc12)[C@H]1CCC(=O)C1.C[C@@H](Oc1cc(-c2ccc(N3CCN(C)CC3)cc2)cc2nn(C)cc12)[C@H]1CCC(=O)C1.C[C@@H](Oc1cc(-c2cnn(C(C)(C)C)c2)cc2nn(C)cc12)[C@H]1CCC(=O)C1.
What is the InChIKey of (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-(4-methylpiperazin-1-yl)phenyl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(4-piperidin-1-ylphenyl)indazol-4-yl]oxyethyl]cyclopentan-1-one?
The InChIKey is GEVJZDBEHSRLLC-QNVFWTOGSA-N. The full InChI is InChI=1S/C26H32N4O2.C26H31N3O2.C22H28N4O2/c1-18(20-6-9-23(31)14-20)32-26-16-21(15-25-24(26)17-29(3)27-25)19-4-7-22(8-5-19)30-12-10-28(2)11-13-30;1-18(20-8-11-23(30)14-20)31-26-16-21(15-25-24(26)17-28(2)27-25)19-6-9-22(10-7-19)29-12-4-3-5-13-29;1-14(15-6-7-18(27)8-15)28-21-10-16(9-20-19(21)13-25(5)24-20)17-11-23-26(12-17)22(2,3)4/h4-5,7-8,15-18,20H,6,9-14H2,1-3H3;6-7,9-10,15-18,20H,3-5,8,11-14H2,1-2H3;9-15H,6-8H2,1-5H3/t2*18-,20+;14-,15+/m111/s1.
What are the key properties of (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-(4-methylpiperazin-1-yl)phenyl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(4-piperidin-1-ylphenyl)indazol-4-yl]oxyethyl]cyclopentan-1-one?
(3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-(4-methylpiperazin-1-yl)phenyl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(4-piperidin-1-ylphenyl)indazol-4-yl]oxyethyl]cyclopentan-1-one has a molecular weight of 1230.61 g/mol, XLogP of 13.82, 14 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-(4-methylpiperazin-1-yl)phenyl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(4-piperidin-1-ylphenyl)indazol-4-yl]oxyethyl]cyclopentan-1-one is sourced from PubChem (CID 158234856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).