6-bromo-1-methylindazole;N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;1-(1-methylindazol-6-yl)pyrrolidine-3-carboxylic acid

C105H127BrN20O14 — CID 157210369

IUPAC6-bromo-1-methylindazole;N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;1-(1-methylindazol-6-yl)pyrrolidine-3-carboxylic acid
SMILESCn1ncc2ccc(Br)cc21.Cn1ncc2ccc(N3CCC(C(=O)N[C@H](CN4CCCC4)[C@H](O)c4ccc5c(c4)OCCO5)C3)cc21.Cn1ncc2ccc(N3CCC(C(=O)O)C3)cc21.Cn1ncc2ccc(N3CC[C@@H](C(=O)N[C@H](CN4CCCC4)[C@H](O)c4ccc5c(c4)OCCO5)C3)cc21.Cn1ncc2ccc(N3CC[C@H](C(=O)N[C@H](CN4CCCC4)[C@H](O)c4ccc5c(c4)OCCO5)C3)cc21
InChIInChI=1S/3C28H35N5O4.C13H15N3O2.C8H7BrN2/c3*1-31-24-15-22(6-4-20(24)16-29-31)33-11-8-21(17-33)28(35)30-23(18-32-9-2-3-10-32)27(34)19-5-7-25-26(14-19)37-13-12-36-25;1-15-12-6-11(3-2-9(12)7-14-15)16-5-4-10(8-16)13(17)18;1-11-8-4-7(9)3-2-6(8)5-10-11/h3*4-7,14-16,21,23,27,34H,2-3,8-13,17-18H2,1H3,(H,30,35);2-3,6-7,10H,4-5,8H2,1H3,(H,17,18);2-5H,1H3/t21?,23-,27-;21-,23+,27+;21-,23-,27-;;/m101../s1
InChIKeyARUZWEWHXBCABV-QWQOSZSUSA-N
MW1973.20 g/mol
LogP11.27
Rot. Bonds23

About 6-bromo-1-methylindazole;N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;1-(1-methylindazol-6-yl)pyrrolidine-3-carboxylic acid

6-bromo-1-methylindazole;N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;1-(1-methylindazol-6-yl)pyrrolidine-3-carboxylic acid (PubChem CID 157210369) has the molecular formula C105H127BrN20O14 and a molecular weight of 1973.20 g/mol. Its IUPAC name is 6-bromo-1-methylindazole;N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;1-(1-methylindazol-6-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name6-bromo-1-methylindazole;N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;1-(1-methylindazol-6-yl)pyrrolidine-3-carboxylic acid
PubChem CID157210369
Molecular FormulaC105H127BrN20O14
Molecular Weight1973.20 g/mol
Exact Mass1970.90
IUPAC Name6-bromo-1-methylindazole;N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;1-(1-methylindazol-6-yl)pyrrolidine-3-carboxylic acid
SMILESCn1ncc2ccc(Br)cc21.Cn1ncc2ccc(N3CCC(C(=O)N[C@H](CN4CCCC4)[C@H](O)c4ccc5c(c4)OCCO5)C3)cc21.Cn1ncc2ccc(N3CCC(C(=O)O)C3)cc21.Cn1ncc2ccc(N3CC[C@@H](C(=O)N[C@H](CN4CCCC4)[C@H](O)c4ccc5c(c4)OCCO5)C3)cc21.Cn1ncc2ccc(N3CC[C@H](C(=O)N[C@H](CN4CCCC4)[C@H](O)c4ccc5c(c4)OCCO5)C3)cc21
InChIInChI=1S/3C28H35N5O4.C13H15N3O2.C8H7BrN2/c3*1-31-24-15-22(6-4-20(24)16-29-31)33-11-8-21(17-33)28(35)30-23(18-32-9-2-3-10-32)27(34)19-5-7-25-26(14-19)37-13-12-36-25;1-15-12-6-11(3-2-9(12)7-14-15)16-5-4-10(8-16)13(17)18;1-11-8-4-7(9)3-2-6(8)5-10-11/h3*4-7,14-16,21,23,27,34H,2-3,8-13,17-18H2,1H3,(H,30,35);2-3,6-7,10H,4-5,8H2,1H3,(H,17,18);2-5H,1H3/t21?,23-,27-;21-,23+,27+;21-,23-,27-;;/m101../s1
InChIKeyARUZWEWHXBCABV-QWQOSZSUSA-N
XLogP11.27
TPSA352.45 Ų
H-Bond Donors7
H-Bond Acceptors30
Rotatable Bonds23
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001973.20
LogP ≤ 511.27
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1030

Analyze 6-bromo-1-methylindazole;N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;1-(1-methylindazol-6-yl)pyrrolidine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-methylindazole;N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;1-(1-methylindazol-6-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 6-bromo-1-methylindazole;N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;1-(1-methylindazol-6-yl)pyrrolidine-3-carboxylic acid (CID 157210369) is 6-bromo-1-methylindazole;N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;1-(1-methylindazol-6-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 6-bromo-1-methylindazole;N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;1-(1-methylindazol-6-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 6-bromo-1-methylindazole;N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;1-(1-methylindazol-6-yl)pyrrolidine-3-carboxylic acid is Cn1ncc2ccc(Br)cc21.Cn1ncc2ccc(N3CCC(C(=O)N[C@H](CN4CCCC4)[C@H](O)c4ccc5c(c4)OCCO5)C3)cc21.Cn1ncc2ccc(N3CCC(C(=O)O)C3)cc21.Cn1ncc2ccc(N3CC[C@@H](C(=O)N[C@H](CN4CCCC4)[C@H](O)c4ccc5c(c4)OCCO5)C3)cc21.Cn1ncc2ccc(N3CC[C@H](C(=O)N[C@H](CN4CCCC4)[C@H](O)c4ccc5c(c4)OCCO5)C3)cc21.
What is the InChIKey of 6-bromo-1-methylindazole;N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;1-(1-methylindazol-6-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is ARUZWEWHXBCABV-QWQOSZSUSA-N. The full InChI is InChI=1S/3C28H35N5O4.C13H15N3O2.C8H7BrN2/c3*1-31-24-15-22(6-4-20(24)16-29-31)33-11-8-21(17-33)28(35)30-23(18-32-9-2-3-10-32)27(34)19-5-7-25-26(14-19)37-13-12-36-25;1-15-12-6-11(3-2-9(12)7-14-15)16-5-4-10(8-16)13(17)18;1-11-8-4-7(9)3-2-6(8)5-10-11/h3*4-7,14-16,21,23,27,34H,2-3,8-13,17-18H2,1H3,(H,30,35);2-3,6-7,10H,4-5,8H2,1H3,(H,17,18);2-5H,1H3/t21?,23-,27-;21-,23+,27+;21-,23-,27-;;/m101../s1.
What are the key properties of 6-bromo-1-methylindazole;N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;1-(1-methylindazol-6-yl)pyrrolidine-3-carboxylic acid?
6-bromo-1-methylindazole;N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;1-(1-methylindazol-6-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 1973.20 g/mol, XLogP of 11.27, 23 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-methylindazole;N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide;1-(1-methylindazol-6-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 157210369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).