2,2-dimethyl-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;(2-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]methanone;(3-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]methanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one

C96H106F2N20O4 — CID 157199924

IUPAC2,2-dimethyl-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;(2-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]methanone;(3-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]methanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one
SMILESCC1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CCN1C(=O)C(C)(C)C.CC1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CCN1C(=O)CCc1ccccc1.CC1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CCN1C(=O)c1cccc(F)c1.CC1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CCN1C(=O)c1ccccc1F
InChIInChI=1S/C26H29N5O.2C24H24FN5O.C22H29N5O/c1-19-13-21(11-12-30(19)26(32)10-7-20-5-3-2-4-6-20)18-31-25-9-8-22(14-23(25)17-29-31)24-15-27-28-16-24;1-16-9-17(7-8-29(16)24(31)19-3-2-4-22(25)11-19)15-30-23-6-5-18(10-20(23)14-28-30)21-12-26-27-13-21;1-16-10-17(8-9-29(16)24(31)21-4-2-3-5-22(21)25)15-30-23-7-6-18(11-19(23)14-28-30)20-12-26-27-13-20;1-15-9-16(7-8-26(15)21(28)22(2,3)4)14-27-20-6-5-17(10-18(20)13-25-27)19-11-23-24-12-19/h2-6,8-9,14-17,19,21H,7,10-13,18H2,1H3,(H,27,28);2-6,10-14,16-17H,7-9,15H2,1H3,(H,26,27);2-7,11-14,16-17H,8-10,15H2,1H3,(H,26,27);5-6,10-13,15-16H,7-9,14H2,1-4H3,(H,23,24)
InChIKeyAQRIUTHMUFCIFZ-UHFFFAOYSA-N
MW1642.04 g/mol
LogP17.80
Rot. Bonds17

About 2,2-dimethyl-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;(2-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]methanone;(3-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]methanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one

2,2-dimethyl-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;(2-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]methanone;(3-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]methanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 157199924) has the molecular formula C96H106F2N20O4 and a molecular weight of 1642.04 g/mol. Its IUPAC name is 2,2-dimethyl-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;(2-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]methanone;(3-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]methanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;(2-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]methanone;(3-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]methanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one
PubChem CID157199924
Molecular FormulaC96H106F2N20O4
Molecular Weight1642.04 g/mol
Exact Mass1640.87
IUPAC Name2,2-dimethyl-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;(2-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]methanone;(3-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]methanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one
SMILESCC1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CCN1C(=O)C(C)(C)C.CC1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CCN1C(=O)CCc1ccccc1.CC1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CCN1C(=O)c1cccc(F)c1.CC1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CCN1C(=O)c1ccccc1F
InChIInChI=1S/C26H29N5O.2C24H24FN5O.C22H29N5O/c1-19-13-21(11-12-30(19)26(32)10-7-20-5-3-2-4-6-20)18-31-25-9-8-22(14-23(25)17-29-31)24-15-27-28-16-24;1-16-9-17(7-8-29(16)24(31)19-3-2-4-22(25)11-19)15-30-23-6-5-18(10-20(23)14-28-30)21-12-26-27-13-21;1-16-10-17(8-9-29(16)24(31)21-4-2-3-5-22(21)25)15-30-23-7-6-18(11-19(23)14-28-30)20-12-26-27-13-20;1-15-9-16(7-8-26(15)21(28)22(2,3)4)14-27-20-6-5-17(10-18(20)13-25-27)19-11-23-24-12-19/h2-6,8-9,14-17,19,21H,7,10-13,18H2,1H3,(H,27,28);2-6,10-14,16-17H,7-9,15H2,1H3,(H,26,27);2-7,11-14,16-17H,8-10,15H2,1H3,(H,26,27);5-6,10-13,15-16H,7-9,14H2,1-4H3,(H,23,24)
InChIKeyAQRIUTHMUFCIFZ-UHFFFAOYSA-N
XLogP17.80
TPSA267.24 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds17
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001642.04
LogP ≤ 517.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 2,2-dimethyl-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;(2-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]methanone;(3-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]methanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-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

Related Compounds

N-[5-[(2,6-difluorophenyl)methyl]-1-ethylpiperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide
CID 56591269
N-[5-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide
CID 70652376
N-[(1R,4R)-2-[(2,6-difluorophenyl)methyl]-2-azabicyclo[2.2.1]heptan-6-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide
CID 70652997
N-[(2R,5S)-1-[(2,6-difluorophenyl)methyl]-2,5-dimethylpiperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide
CID 89509187
N-[(2R,3R,5S)-1-[(2,6-difluorophenyl)methyl]-2,5-dimethylpiperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide
CID 89509259
N-[(1R,4R,6R)-2-[(2,6-difluorophenyl)methyl]-2-azabicyclo[2.2.1]heptan-6-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide
CID 117997152
(2,3-difluorophenyl)-[(2R,4S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 118674445
(2-fluorophenyl)-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]methanone
CID 118674449
[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone
CID 118674465
(2-fluorophenyl)-[(2R,4S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 118674470
(2,3-difluorophenyl)-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 118674476
(2,3-difluorophenyl)-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]methanone
CID 118674490

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;(2-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]methanone;(3-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]methanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 2,2-dimethyl-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;(2-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]methanone;(3-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]methanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one (CID 157199924) is 2,2-dimethyl-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;(2-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]methanone;(3-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]methanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;(2-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]methanone;(3-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]methanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;(2-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]methanone;(3-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]methanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one is CC1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CCN1C(=O)C(C)(C)C.CC1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CCN1C(=O)CCc1ccccc1.CC1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CCN1C(=O)c1cccc(F)c1.CC1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CCN1C(=O)c1ccccc1F.
What is the InChIKey of 2,2-dimethyl-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;(2-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]methanone;(3-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]methanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is AQRIUTHMUFCIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O.2C24H24FN5O.C22H29N5O/c1-19-13-21(11-12-30(19)26(32)10-7-20-5-3-2-4-6-20)18-31-25-9-8-22(14-23(25)17-29-31)24-15-27-28-16-24;1-16-9-17(7-8-29(16)24(31)19-3-2-4-22(25)11-19)15-30-23-6-5-18(10-20(23)14-28-30)21-12-26-27-13-21;1-16-10-17(8-9-29(16)24(31)21-4-2-3-5-22(21)25)15-30-23-7-6-18(11-19(23)14-28-30)20-12-26-27-13-20;1-15-9-16(7-8-26(15)21(28)22(2,3)4)14-27-20-6-5-17(10-18(20)13-25-27)19-11-23-24-12-19/h2-6,8-9,14-17,19,21H,7,10-13,18H2,1H3,(H,27,28);2-6,10-14,16-17H,7-9,15H2,1H3,(H,26,27);2-7,11-14,16-17H,8-10,15H2,1H3,(H,26,27);5-6,10-13,15-16H,7-9,14H2,1-4H3,(H,23,24).
What are the key properties of 2,2-dimethyl-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;(2-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]methanone;(3-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]methanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one?
2,2-dimethyl-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;(2-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]methanone;(3-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]methanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 1642.04 g/mol, XLogP of 17.80, 17 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one;(2-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]methanone;(3-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]methanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 157199924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).