1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;(3-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-phenyl-1-[4-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one

C95H97F2N21O4 — CID 157101947

IUPAC1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;(3-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-phenyl-1-[4-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one
SMILESCC1(C)CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)Cc1ccccc1.C[C@@H]1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccc(F)cc1.C[C@@H]1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)c1cccc(F)c1.O=C(CCc1ccccc1)N1CCC(Cn2ncc3cc(-c4cn[nH]n4)ccc32)CC1
InChIInChI=1S/C25H27N5O.C24H26N6O.2C23H22FN5O/c1-25(2)12-19(16-29(25)24(31)10-18-6-4-3-5-7-18)17-30-23-9-8-20(11-21(23)15-28-30)22-13-26-27-14-22;31-24(9-6-18-4-2-1-3-5-18)29-12-10-19(11-13-29)17-30-23-8-7-20(14-21(23)15-26-30)22-16-25-28-27-22;1-15-8-16(13-28(15)23(30)17-2-5-21(24)6-3-17)14-29-22-7-4-18(9-19(22)12-27-29)20-10-25-26-11-20;1-15-7-16(13-28(15)23(30)18-3-2-4-21(24)9-18)14-29-22-6-5-17(8-19(22)12-27-29)20-10-25-26-11-20/h3-9,11,13-15,19H,10,12,16-17H2,1-2H3,(H,26,27);1-5,7-8,14-16,19H,6,9-13,17H2,(H,25,27,28);2-7,9-12,15-16H,8,13-14H2,1H3,(H,25,26);2-6,8-12,15-16H,7,13-14H2,1H3,(H,25,26)/t;;2*15-,16?/m..11/s1
InChIKeyAFWCFOSZFNTLCP-WJOYCECKSA-N
MW1634.96 g/mol
LogP16.22
Rot. Bonds19

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

1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;(3-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-phenyl-1-[4-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one (PubChem CID 157101947) has the molecular formula C95H97F2N21O4 and a molecular weight of 1634.96 g/mol. Its IUPAC name is 1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;(3-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-phenyl-1-[4-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;(3-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-phenyl-1-[4-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one
PubChem CID157101947
Molecular FormulaC95H97F2N21O4
Molecular Weight1634.96 g/mol
Exact Mass1633.80
IUPAC Name1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;(3-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-phenyl-1-[4-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one
SMILESCC1(C)CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)Cc1ccccc1.C[C@@H]1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccc(F)cc1.C[C@@H]1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)c1cccc(F)c1.O=C(CCc1ccccc1)N1CCC(Cn2ncc3cc(-c4cn[nH]n4)ccc32)CC1
InChIInChI=1S/C25H27N5O.C24H26N6O.2C23H22FN5O/c1-25(2)12-19(16-29(25)24(31)10-18-6-4-3-5-7-18)17-30-23-9-8-20(11-21(23)15-28-30)22-13-26-27-14-22;31-24(9-6-18-4-2-1-3-5-18)29-12-10-19(11-13-29)17-30-23-8-7-20(14-21(23)15-26-30)22-16-25-28-27-22;1-15-8-16(13-28(15)23(30)17-2-5-21(24)6-3-17)14-29-22-7-4-18(9-19(22)12-27-29)20-10-25-26-11-20;1-15-7-16(13-28(15)23(30)18-3-2-4-21(24)9-18)14-29-22-6-5-17(8-19(22)12-27-29)20-10-25-26-11-20/h3-9,11,13-15,19H,10,12,16-17H2,1-2H3,(H,26,27);1-5,7-8,14-16,19H,6,9-13,17H2,(H,25,27,28);2-7,9-12,15-16H,8,13-14H2,1H3,(H,25,26);2-6,8-12,15-16H,7,13-14H2,1H3,(H,25,26)/t;;2*15-,16?/m..11/s1
InChIKeyAFWCFOSZFNTLCP-WJOYCECKSA-N
XLogP16.22
TPSA280.13 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds19
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001634.96
LogP ≤ 516.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze 1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;(3-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-phenyl-1-[4-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;(3-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-phenyl-1-[4-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;(3-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-phenyl-1-[4-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one (CID 157101947) is 1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;(3-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-phenyl-1-[4-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;(3-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-phenyl-1-[4-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;(3-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-phenyl-1-[4-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one is CC1(C)CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)Cc1ccccc1.C[C@@H]1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccc(F)cc1.C[C@@H]1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)c1cccc(F)c1.O=C(CCc1ccccc1)N1CCC(Cn2ncc3cc(-c4cn[nH]n4)ccc32)CC1.
What is the InChIKey of 1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;(3-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-phenyl-1-[4-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one?
The InChIKey is AFWCFOSZFNTLCP-WJOYCECKSA-N. The full InChI is InChI=1S/C25H27N5O.C24H26N6O.2C23H22FN5O/c1-25(2)12-19(16-29(25)24(31)10-18-6-4-3-5-7-18)17-30-23-9-8-20(11-21(23)15-28-30)22-13-26-27-14-22;31-24(9-6-18-4-2-1-3-5-18)29-12-10-19(11-13-29)17-30-23-8-7-20(14-21(23)15-26-30)22-16-25-28-27-22;1-15-8-16(13-28(15)23(30)17-2-5-21(24)6-3-17)14-29-22-7-4-18(9-19(22)12-27-29)20-10-25-26-11-20;1-15-7-16(13-28(15)23(30)18-3-2-4-21(24)9-18)14-29-22-6-5-17(8-19(22)12-27-29)20-10-25-26-11-20/h3-9,11,13-15,19H,10,12,16-17H2,1-2H3,(H,26,27);1-5,7-8,14-16,19H,6,9-13,17H2,(H,25,27,28);2-7,9-12,15-16H,8,13-14H2,1H3,(H,25,26);2-6,8-12,15-16H,7,13-14H2,1H3,(H,25,26)/t;;2*15-,16?/m..11/s1.
What are the key properties of 1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;(3-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-phenyl-1-[4-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one?
1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;(3-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-phenyl-1-[4-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one has a molecular weight of 1634.96 g/mol, XLogP of 16.22, 19 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;(3-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-phenyl-1-[4-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 157101947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).