1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1-methylpyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[2-methyl-4-[[2-methyl-5-(2H-triazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one

C105H115N17O4 — CID 160938037

IUPAC1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1-methylpyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[2-methyl-4-[[2-methyl-5-(2H-triazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
SMILESCC1(C)CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)Cc1ccccc1.CC1(C)CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccccc1.CC1CC(Cn2ccc3cc(-c4cnn(C)c4)ccc32)CCN1C(=O)CCc1ccccc1.Cc1cc2cc(-c3cn[nH]n3)ccc2n1CC1CC(C)N(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C28H32N4O.C26H29N5O.C26H28N4O.C25H26N4O/c1-21-16-23(12-15-32(21)28(33)11-8-22-6-4-3-5-7-22)19-31-14-13-25-17-24(9-10-27(25)31)26-18-29-30(2)20-26;1-18-12-21(17-31(18)26(32)11-8-20-6-4-3-5-7-20)16-30-19(2)13-23-14-22(9-10-25(23)30)24-15-27-29-28-24;1-26(2)14-20(18-30(26)25(31)12-19-6-4-3-5-7-19)17-29-11-10-22-13-21(8-9-24(22)29)23-15-27-28-16-23;1-25(2)13-18(17-29(25)24(30)19-6-4-3-5-7-19)16-28-11-10-21-12-20(8-9-23(21)28)22-14-26-27-15-22/h3-7,9-10,13-14,17-18,20-21,23H,8,11-12,15-16,19H2,1-2H3;3-7,9-10,13-15,18,21H,8,11-12,16-17H2,1-2H3,(H,27,28,29);3-11,13,15-16,20H,12,14,17-18H2,1-2H3,(H,27,28);3-12,14-15,18H,13,16-17H2,1-2H3,(H,26,27)
InChIKeySUDCBTYFBIANOT-UHFFFAOYSA-N
MW1679.19 g/mol
LogP19.78
Rot. Bonds21

About 1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1-methylpyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[2-methyl-4-[[2-methyl-5-(2H-triazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one

1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1-methylpyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[2-methyl-4-[[2-methyl-5-(2H-triazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one (PubChem CID 160938037) has the molecular formula C105H115N17O4 and a molecular weight of 1679.19 g/mol. Its IUPAC name is 1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1-methylpyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[2-methyl-4-[[2-methyl-5-(2H-triazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1-methylpyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[2-methyl-4-[[2-methyl-5-(2H-triazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
PubChem CID160938037
Molecular FormulaC105H115N17O4
Molecular Weight1679.19 g/mol
Exact Mass1677.93
IUPAC Name1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1-methylpyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[2-methyl-4-[[2-methyl-5-(2H-triazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
SMILESCC1(C)CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)Cc1ccccc1.CC1(C)CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccccc1.CC1CC(Cn2ccc3cc(-c4cnn(C)c4)ccc32)CCN1C(=O)CCc1ccccc1.Cc1cc2cc(-c3cn[nH]n3)ccc2n1CC1CC(C)N(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C28H32N4O.C26H29N5O.C26H28N4O.C25H26N4O/c1-21-16-23(12-15-32(21)28(33)11-8-22-6-4-3-5-7-22)19-31-14-13-25-17-24(9-10-27(25)31)26-18-29-30(2)20-26;1-18-12-21(17-31(18)26(32)11-8-20-6-4-3-5-7-20)16-30-19(2)13-23-14-22(9-10-25(23)30)24-15-27-29-28-24;1-26(2)14-20(18-30(26)25(31)12-19-6-4-3-5-7-19)17-29-11-10-22-13-21(8-9-24(22)29)23-15-27-28-16-23;1-25(2)13-18(17-29(25)24(30)19-6-4-3-5-7-19)16-28-11-10-21-12-20(8-9-23(21)28)22-14-26-27-15-22/h3-7,9-10,13-14,17-18,20-21,23H,8,11-12,15-16,19H2,1-2H3;3-7,9-10,13-15,18,21H,8,11-12,16-17H2,1-2H3,(H,27,28,29);3-11,13,15-16,20H,12,14,17-18H2,1-2H3,(H,27,28);3-12,14-15,18H,13,16-17H2,1-2H3,(H,26,27)
InChIKeySUDCBTYFBIANOT-UHFFFAOYSA-N
XLogP19.78
TPSA217.71 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds21
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001679.19
LogP ≤ 519.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1-methylpyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[2-methyl-4-[[2-methyl-5-(2H-triazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-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)indol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1-methylpyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[2-methyl-4-[[2-methyl-5-(2H-triazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1-methylpyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[2-methyl-4-[[2-methyl-5-(2H-triazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one (CID 160938037) is 1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1-methylpyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[2-methyl-4-[[2-methyl-5-(2H-triazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1-methylpyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[2-methyl-4-[[2-methyl-5-(2H-triazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1-methylpyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[2-methyl-4-[[2-methyl-5-(2H-triazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one is CC1(C)CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)Cc1ccccc1.CC1(C)CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccccc1.CC1CC(Cn2ccc3cc(-c4cnn(C)c4)ccc32)CCN1C(=O)CCc1ccccc1.Cc1cc2cc(-c3cn[nH]n3)ccc2n1CC1CC(C)N(C(=O)CCc2ccccc2)C1.
What is the InChIKey of 1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1-methylpyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[2-methyl-4-[[2-methyl-5-(2H-triazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is SUDCBTYFBIANOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O.C26H29N5O.C26H28N4O.C25H26N4O/c1-21-16-23(12-15-32(21)28(33)11-8-22-6-4-3-5-7-22)19-31-14-13-25-17-24(9-10-27(25)31)26-18-29-30(2)20-26;1-18-12-21(17-31(18)26(32)11-8-20-6-4-3-5-7-20)16-30-19(2)13-23-14-22(9-10-25(23)30)24-15-27-29-28-24;1-26(2)14-20(18-30(26)25(31)12-19-6-4-3-5-7-19)17-29-11-10-22-13-21(8-9-24(22)29)23-15-27-28-16-23;1-25(2)13-18(17-29(25)24(30)19-6-4-3-5-7-19)16-28-11-10-21-12-20(8-9-23(21)28)22-14-26-27-15-22/h3-7,9-10,13-14,17-18,20-21,23H,8,11-12,15-16,19H2,1-2H3;3-7,9-10,13-15,18,21H,8,11-12,16-17H2,1-2H3,(H,27,28,29);3-11,13,15-16,20H,12,14,17-18H2,1-2H3,(H,27,28);3-12,14-15,18H,13,16-17H2,1-2H3,(H,26,27).
What are the key properties of 1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1-methylpyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[2-methyl-4-[[2-methyl-5-(2H-triazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one?
1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1-methylpyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[2-methyl-4-[[2-methyl-5-(2H-triazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 1679.19 g/mol, XLogP of 19.78, 21 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1-methylpyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[2-methyl-4-[[2-methyl-5-(2H-triazol-4-yl)indol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 160938037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).