2-(3-acetylindazol-1-yl)acetic acid;(2S,4R)-1-[2-(3-acetylindazol-1-yl)acetyl]-N-(cuban-1-ylmethyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl (2S,4R)-2-(cuban-1-ylmethylcarbamoyl)-4-fluoropyrrolidine-1-carboxylate;cuban-1-ylmethanamine;(2S,4R)-N-(cuban-1-ylmethyl)-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;hydrochloride

C88H105ClF4N12O14 — CID 157497664

IUPAC2-(3-acetylindazol-1-yl)acetic acid;(2S,4R)-1-[2-(3-acetylindazol-1-yl)acetyl]-N-(cuban-1-ylmethyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl (2S,4R)-2-(cuban-1-ylmethylcarbamoyl)-4-fluoropyrrolidine-1-carboxylate;cuban-1-ylmethanamine;(2S,4R)-N-(cuban-1-ylmethyl)-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCC23C4C5C6C4C2C6C53)c2ccccc12.CC(=O)c1nn(CC(=O)O)c2ccccc12.CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)NCC12C3C4C5C3C1C5C42.CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)O.Cl.NCC12C3C4C5C3C1C5C42.O=C(NCC12C3C4C5C3C1C5C42)[C@@H]1C[C@@H](F)CN1
InChIInChI=1S/C25H25FN4O3.C19H25FN2O3.C14H17FN2O.C11H10N2O3.C10H16FNO4.C9H11N.ClH/c1-10(31)23-12-4-2-3-5-13(12)30(28-23)8-15(32)29-7-11(26)6-14(29)24(33)27-9-25-20-17-16-18(20)22(25)19(16)21(17)25;1-18(2,3)25-17(24)22-5-7(20)4-8(22)16(23)21-6-19-13-10-9-11(13)15(19)12(9)14(10)19;15-4-1-5(16-2-4)13(18)17-3-14-10-7-6-8(10)12(14)9(6)11(7)14;1-7(14)11-8-4-2-3-5-9(8)13(12-11)6-10(15)16;1-10(2,3)16-9(15)12-5-6(11)4-7(12)8(13)14;10-1-9-6-3-2-4(6)8(9)5(2)7(3)9;/h2-5,11,14,16-22H,6-9H2,1H3,(H,27,33);7-15H,4-6H2,1-3H3,(H,21,23);4-12,16H,1-3H2,(H,17,18);2-5H,6H2,1H3,(H,15,16);6-7H,4-5H2,1-3H3,(H,13,14);2-8H,1,10H2;1H/t11-,14+,16?,17?,18?,19?,20?,21?,22?,25?;7-,8+,9?,10?,11?,12?,13?,14?,15?,19?;4-,5+,6?,7?,8?,9?,10?,11?,12?,14?;;6-,7+;;/m111.1../s1
InChIKeyNOBMZRFAJYFBBQ-FLSIIRPKSA-N
MW1666.32 g/mol
LogP7.13
Rot. Bonds17

About 2-(3-acetylindazol-1-yl)acetic acid;(2S,4R)-1-[2-(3-acetylindazol-1-yl)acetyl]-N-(cuban-1-ylmethyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl (2S,4R)-2-(cuban-1-ylmethylcarbamoyl)-4-fluoropyrrolidine-1-carboxylate;cuban-1-ylmethanamine;(2S,4R)-N-(cuban-1-ylmethyl)-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;hydrochloride

2-(3-acetylindazol-1-yl)acetic acid;(2S,4R)-1-[2-(3-acetylindazol-1-yl)acetyl]-N-(cuban-1-ylmethyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl (2S,4R)-2-(cuban-1-ylmethylcarbamoyl)-4-fluoropyrrolidine-1-carboxylate;cuban-1-ylmethanamine;(2S,4R)-N-(cuban-1-ylmethyl)-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 157497664) has the molecular formula C88H105ClF4N12O14 and a molecular weight of 1666.32 g/mol. Its IUPAC name is 2-(3-acetylindazol-1-yl)acetic acid;(2S,4R)-1-[2-(3-acetylindazol-1-yl)acetyl]-N-(cuban-1-ylmethyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl (2S,4R)-2-(cuban-1-ylmethylcarbamoyl)-4-fluoropyrrolidine-1-carboxylate;cuban-1-ylmethanamine;(2S,4R)-N-(cuban-1-ylmethyl)-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-(3-acetylindazol-1-yl)acetic acid;(2S,4R)-1-[2-(3-acetylindazol-1-yl)acetyl]-N-(cuban-1-ylmethyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl (2S,4R)-2-(cuban-1-ylmethylcarbamoyl)-4-fluoropyrrolidine-1-carboxylate;cuban-1-ylmethanamine;(2S,4R)-N-(cuban-1-ylmethyl)-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID157497664
Molecular FormulaC88H105ClF4N12O14
Molecular Weight1666.32 g/mol
Exact Mass1664.75
IUPAC Name2-(3-acetylindazol-1-yl)acetic acid;(2S,4R)-1-[2-(3-acetylindazol-1-yl)acetyl]-N-(cuban-1-ylmethyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl (2S,4R)-2-(cuban-1-ylmethylcarbamoyl)-4-fluoropyrrolidine-1-carboxylate;cuban-1-ylmethanamine;(2S,4R)-N-(cuban-1-ylmethyl)-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCC23C4C5C6C4C2C6C53)c2ccccc12.CC(=O)c1nn(CC(=O)O)c2ccccc12.CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)NCC12C3C4C5C3C1C5C42.CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)O.Cl.NCC12C3C4C5C3C1C5C42.O=C(NCC12C3C4C5C3C1C5C42)[C@@H]1C[C@@H](F)CN1
InChIInChI=1S/C25H25FN4O3.C19H25FN2O3.C14H17FN2O.C11H10N2O3.C10H16FNO4.C9H11N.ClH/c1-10(31)23-12-4-2-3-5-13(12)30(28-23)8-15(32)29-7-11(26)6-14(29)24(33)27-9-25-20-17-16-18(20)22(25)19(16)21(17)25;1-18(2,3)25-17(24)22-5-7(20)4-8(22)16(23)21-6-19-13-10-9-11(13)15(19)12(9)14(10)19;15-4-1-5(16-2-4)13(18)17-3-14-10-7-6-8(10)12(14)9(6)11(7)14;1-7(14)11-8-4-2-3-5-9(8)13(12-11)6-10(15)16;1-10(2,3)16-9(15)12-5-6(11)4-7(12)8(13)14;10-1-9-6-3-2-4(6)8(9)5(2)7(3)9;/h2-5,11,14,16-22H,6-9H2,1H3,(H,27,33);7-15H,4-6H2,1-3H3,(H,21,23);4-12,16H,1-3H2,(H,17,18);2-5H,6H2,1H3,(H,15,16);6-7H,4-5H2,1-3H3,(H,13,14);2-8H,1,10H2;1H/t11-,14+,16?,17?,18?,19?,20?,21?,22?,25?;7-,8+,9?,10?,11?,12?,13?,14?,15?,19?;4-,5+,6?,7?,8?,9?,10?,11?,12?,14?;;6-,7+;;/m111.1../s1
InChIKeyNOBMZRFAJYFBBQ-FLSIIRPKSA-N
XLogP7.13
TPSA349.12 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms119
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001666.32
LogP ≤ 57.13
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

Analyze 2-(3-acetylindazol-1-yl)acetic acid;(2S,4R)-1-[2-(3-acetylindazol-1-yl)acetyl]-N-(cuban-1-ylmethyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl (2S,4R)-2-(cuban-1-ylmethylcarbamoyl)-4-fluoropyrrolidine-1-carboxylate;cuban-1-ylmethanamine;(2S,4R)-N-(cuban-1-ylmethyl)-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;hydrochloride with MolForge

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Related Compounds

1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-5,5-dimethylhexan-1-one;tert-butyl (1R,3S,5R)-3-(5,5-dimethylhexanoyl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;dichloromethane;3,3-dimethylbutan-1-amine;1-[2-[(1R,3S,5R)-3-(5,5-dimethylhexanoyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;2,2,2-trifluoroacetaldehyde
CID 158839583
CID 159450586
CID 159450586

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylindazol-1-yl)acetic acid;(2S,4R)-1-[2-(3-acetylindazol-1-yl)acetyl]-N-(cuban-1-ylmethyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl (2S,4R)-2-(cuban-1-ylmethylcarbamoyl)-4-fluoropyrrolidine-1-carboxylate;cuban-1-ylmethanamine;(2S,4R)-N-(cuban-1-ylmethyl)-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of 2-(3-acetylindazol-1-yl)acetic acid;(2S,4R)-1-[2-(3-acetylindazol-1-yl)acetyl]-N-(cuban-1-ylmethyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl (2S,4R)-2-(cuban-1-ylmethylcarbamoyl)-4-fluoropyrrolidine-1-carboxylate;cuban-1-ylmethanamine;(2S,4R)-N-(cuban-1-ylmethyl)-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;hydrochloride (CID 157497664) is 2-(3-acetylindazol-1-yl)acetic acid;(2S,4R)-1-[2-(3-acetylindazol-1-yl)acetyl]-N-(cuban-1-ylmethyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl (2S,4R)-2-(cuban-1-ylmethylcarbamoyl)-4-fluoropyrrolidine-1-carboxylate;cuban-1-ylmethanamine;(2S,4R)-N-(cuban-1-ylmethyl)-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-(3-acetylindazol-1-yl)acetic acid;(2S,4R)-1-[2-(3-acetylindazol-1-yl)acetyl]-N-(cuban-1-ylmethyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl (2S,4R)-2-(cuban-1-ylmethylcarbamoyl)-4-fluoropyrrolidine-1-carboxylate;cuban-1-ylmethanamine;(2S,4R)-N-(cuban-1-ylmethyl)-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 2-(3-acetylindazol-1-yl)acetic acid;(2S,4R)-1-[2-(3-acetylindazol-1-yl)acetyl]-N-(cuban-1-ylmethyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl (2S,4R)-2-(cuban-1-ylmethylcarbamoyl)-4-fluoropyrrolidine-1-carboxylate;cuban-1-ylmethanamine;(2S,4R)-N-(cuban-1-ylmethyl)-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;hydrochloride is CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCC23C4C5C6C4C2C6C53)c2ccccc12.CC(=O)c1nn(CC(=O)O)c2ccccc12.CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)NCC12C3C4C5C3C1C5C42.CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)O.Cl.NCC12C3C4C5C3C1C5C42.O=C(NCC12C3C4C5C3C1C5C42)[C@@H]1C[C@@H](F)CN1.
What is the InChIKey of 2-(3-acetylindazol-1-yl)acetic acid;(2S,4R)-1-[2-(3-acetylindazol-1-yl)acetyl]-N-(cuban-1-ylmethyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl (2S,4R)-2-(cuban-1-ylmethylcarbamoyl)-4-fluoropyrrolidine-1-carboxylate;cuban-1-ylmethanamine;(2S,4R)-N-(cuban-1-ylmethyl)-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is NOBMZRFAJYFBBQ-FLSIIRPKSA-N. The full InChI is InChI=1S/C25H25FN4O3.C19H25FN2O3.C14H17FN2O.C11H10N2O3.C10H16FNO4.C9H11N.ClH/c1-10(31)23-12-4-2-3-5-13(12)30(28-23)8-15(32)29-7-11(26)6-14(29)24(33)27-9-25-20-17-16-18(20)22(25)19(16)21(17)25;1-18(2,3)25-17(24)22-5-7(20)4-8(22)16(23)21-6-19-13-10-9-11(13)15(19)12(9)14(10)19;15-4-1-5(16-2-4)13(18)17-3-14-10-7-6-8(10)12(14)9(6)11(7)14;1-7(14)11-8-4-2-3-5-9(8)13(12-11)6-10(15)16;1-10(2,3)16-9(15)12-5-6(11)4-7(12)8(13)14;10-1-9-6-3-2-4(6)8(9)5(2)7(3)9;/h2-5,11,14,16-22H,6-9H2,1H3,(H,27,33);7-15H,4-6H2,1-3H3,(H,21,23);4-12,16H,1-3H2,(H,17,18);2-5H,6H2,1H3,(H,15,16);6-7H,4-5H2,1-3H3,(H,13,14);2-8H,1,10H2;1H/t11-,14+,16?,17?,18?,19?,20?,21?,22?,25?;7-,8+,9?,10?,11?,12?,13?,14?,15?,19?;4-,5+,6?,7?,8?,9?,10?,11?,12?,14?;;6-,7+;;/m111.1../s1.
What are the key properties of 2-(3-acetylindazol-1-yl)acetic acid;(2S,4R)-1-[2-(3-acetylindazol-1-yl)acetyl]-N-(cuban-1-ylmethyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl (2S,4R)-2-(cuban-1-ylmethylcarbamoyl)-4-fluoropyrrolidine-1-carboxylate;cuban-1-ylmethanamine;(2S,4R)-N-(cuban-1-ylmethyl)-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;hydrochloride?
2-(3-acetylindazol-1-yl)acetic acid;(2S,4R)-1-[2-(3-acetylindazol-1-yl)acetyl]-N-(cuban-1-ylmethyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl (2S,4R)-2-(cuban-1-ylmethylcarbamoyl)-4-fluoropyrrolidine-1-carboxylate;cuban-1-ylmethanamine;(2S,4R)-N-(cuban-1-ylmethyl)-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 1666.32 g/mol, XLogP of 7.13, 17 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylindazol-1-yl)acetic acid;(2S,4R)-1-[2-(3-acetylindazol-1-yl)acetyl]-N-(cuban-1-ylmethyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl (2S,4R)-2-(cuban-1-ylmethylcarbamoyl)-4-fluoropyrrolidine-1-carboxylate;cuban-1-ylmethanamine;(2S,4R)-N-(cuban-1-ylmethyl)-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 157497664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).