(5aS)-5,5-difluoro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-5a-methyl-4a,6-dihydro-4H-cyclopropa[f]indazole-3-carboxamide;(5aR)-5,5-difluoro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-5a-methyl-4a,6-dihydro-4H-cyclopropa[f]indazole-3-carboxamide;4-ethyl-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(pyrrolidin-1-ylmethyl)indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-4,5,6,7-tetrahydroindazole-3-carboxamide

C116H117F4N23O13 — CID 159646000

About (5aS)-5,5-difluoro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-5a-methyl-4a,6-dihydro-4H-cyclopropa[f]indazole-3-carboxamide;(5aR)-5,5-difluoro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-5a-methyl-4a,6-dihydro-4H-cyclopropa[f]indazole-3-carboxamide;4-ethyl-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(pyrrolidin-1-ylmethyl)indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-4,5,6,7-tetrahydroindazole-3-carboxamide

(5aS)-5,5-difluoro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-5a-methyl-4a,6-dihydro-4H-cyclopropa[f]indazole-3-carboxamide;(5aR)-5,5-difluoro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-5a-methyl-4a,6-dihydro-4H-cyclopropa[f]indazole-3-carboxamide;4-ethyl-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(pyrrolidin-1-ylmethyl)indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 159646000) has the molecular formula C116H117F4N23O13 and a molecular weight of 2117.35 g/mol. Its IUPAC name is (5aS)-5,5-difluoro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-5a-methyl-4a,6-dihydro-4H-cyclopropa[f]indazole-3-carboxamide;(5aR)-5,5-difluoro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-5a-methyl-4a,6-dihydro-4H-cyclopropa[f]indazole-3-carboxamide;4-ethyl-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(pyrrolidin-1-ylmethyl)indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

• Compound Name: (5aS)-5,5-difluoro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-5a-methyl-4a,6-dihydro-4H-cyclopropa[f]indazole-3-carboxamide;(5aR)-5,5-difluoro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-5a-methyl-4a,6-dihydro-4H-cyclopropa[f]indazole-3-carboxamide;4-ethyl-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(pyrrolidin-1-ylmethyl)indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
• PubChem CID: 159646000
• Molecular Formula: C116H117F4N23O13
• Molecular Weight: 2117.35 g/mol
• Exact Mass: 2115.91
• IUPAC Name: (5aS)-5,5-difluoro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-5a-methyl-4a,6-dihydro-4H-cyclopropa[f]indazole-3-carboxamide;(5aR)-5,5-difluoro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-5a-methyl-4a,6-dihydro-4H-cyclopropa[f]indazole-3-carboxamide;4-ethyl-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(pyrrolidin-1-ylmethyl)indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
• SMILES: C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-n2nc(C(N)=O)c3c2C[C@@]2(C)C(C3)C2(F)F)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-n2nc(C(N)=O)c3c2C[C@]2(C)C(C3)C2(F)F)c1.CCc1nccc2c1c(C(N)=O)nn2-c1cccc(C#C[C@]2(O)CCN(C)C2=O)c1.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4cc(CN5CCCC5)ccc43)c2)C1=O.CN1CC[C@@](O)(C#Cc2ccnc(-n3nc(C(N)=O)c4c3CCCC4)c2)C1=O
• InChI: InChI=1S/C26H27N5O3.2C24H24F2N4O2.C22H21N5O3.C20H21N5O3/c1-29-14-11-26(34,25(29)33)10-9-18-5-4-6-20(15-18)31-22-8-7-19(17-30-12-2-3-13-30)16-21(22)23(28-31)24(27)32;2*1-14-23(32,9-10-29(14)3)8-7-15-5-4-6-16(11-15)30-18-13-22(2)19(24(22,25)26)12-17(18)20(28-30)21(27)31;1-3-16-18-17(8-11-24-16)27(25-19(18)20(23)28)15-6-4-5-14(13-15)7-9-22(30)10-12-26(2)21(22)29;1-24-11-9-20(28,19(24)27)8-6-13-7-10-22-16(12-13)25-15-5-3-2-4-14(15)17(23-25)18(21)26/h4-8,15-16,34H,2-3,11-14,17H2,1H3,(H2,27,32);2*4-6,11,19,32H,1,9-10,12-13H2,2-3H3,(H2,27,31);4-6,8,11,13,30H,3,10,12H2,1-2H3,(H2,23,28);7,10,12,28H,2-5,9,11H2,1H3,(H2,21,26)/t26-;19?,22-,23+;19?,22-,23-;22-;20-/m01000/s1
• InChIKey: MQYUCDGWGULIAZ-LYEOOVMDSA-N
• XLogP: 7.43
• TPSA: 502.13 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 28
• Rotatable Bonds: 13
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2117.35
LogP ≤ 5	7.43
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5aS)-5,5-difluoro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-5a-methyl-4a,6-dihydro-4H-cyclopropa[f]indazole-3-carboxamide;(5aR)-5,5-difluoro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-5a-methyl-4a,6-dihydro-4H-cyclopropa[f]indazole-3-carboxamide;4-ethyl-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(pyrrolidin-1-ylmethyl)indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?

The IUPAC name of (5aS)-5,5-difluoro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-5a-methyl-4a,6-dihydro-4H-cyclopropa[f]indazole-3-carboxamide;(5aR)-5,5-difluoro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-5a-methyl-4a,6-dihydro-4H-cyclopropa[f]indazole-3-carboxamide;4-ethyl-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(pyrrolidin-1-ylmethyl)indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 159646000) is (5aS)-5,5-difluoro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-5a-methyl-4a,6-dihydro-4H-cyclopropa[f]indazole-3-carboxamide;(5aR)-5,5-difluoro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-5a-methyl-4a,6-dihydro-4H-cyclopropa[f]indazole-3-carboxamide;4-ethyl-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(pyrrolidin-1-ylmethyl)indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-4,5,6,7-tetrahydroindazole-3-carboxamide.

What is the SMILES notation for (5aS)-5,5-difluoro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-5a-methyl-4a,6-dihydro-4H-cyclopropa[f]indazole-3-carboxamide;(5aR)-5,5-difluoro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-5a-methyl-4a,6-dihydro-4H-cyclopropa[f]indazole-3-carboxamide;4-ethyl-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(pyrrolidin-1-ylmethyl)indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?

The canonical SMILES for (5aS)-5,5-difluoro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-5a-methyl-4a,6-dihydro-4H-cyclopropa[f]indazole-3-carboxamide;(5aR)-5,5-difluoro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-5a-methyl-4a,6-dihydro-4H-cyclopropa[f]indazole-3-carboxamide;4-ethyl-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(pyrrolidin-1-ylmethyl)indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-4,5,6,7-tetrahydroindazole-3-carboxamide is C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-n2nc(C(N)=O)c3c2C[C@@]2(C)C(C3)C2(F)F)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-n2nc(C(N)=O)c3c2C[C@]2(C)C(C3)C2(F)F)c1.CCc1nccc2c1c(C(N)=O)nn2-c1cccc(C#C[C@]2(O)CCN(C)C2=O)c1.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4cc(CN5CCCC5)ccc43)c2)C1=O.CN1CC[C@@](O)(C#Cc2ccnc(-n3nc(C(N)=O)c4c3CCCC4)c2)C1=O.

What is the InChIKey of (5aS)-5,5-difluoro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-5a-methyl-4a,6-dihydro-4H-cyclopropa[f]indazole-3-carboxamide;(5aR)-5,5-difluoro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-5a-methyl-4a,6-dihydro-4H-cyclopropa[f]indazole-3-carboxamide;4-ethyl-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(pyrrolidin-1-ylmethyl)indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?

The InChIKey is MQYUCDGWGULIAZ-LYEOOVMDSA-N. The full InChI is InChI=1S/C26H27N5O3.2C24H24F2N4O2.C22H21N5O3.C20H21N5O3/c1-29-14-11-26(34,25(29)33)10-9-18-5-4-6-20(15-18)31-22-8-7-19(17-30-12-2-3-13-30)16-21(22)23(28-31)24(27)32;2*1-14-23(32,9-10-29(14)3)8-7-15-5-4-6-16(11-15)30-18-13-22(2)19(24(22,25)26)12-17(18)20(28-30)21(27)31;1-3-16-18-17(8-11-24-16)27(25-19(18)20(23)28)15-6-4-5-14(13-15)7-9-22(30)10-12-26(2)21(22)29;1-24-11-9-20(28,19(24)27)8-6-13-7-10-22-16(12-13)25-15-5-3-2-4-14(15)17(23-25)18(21)26/h4-8,15-16,34H,2-3,11-14,17H2,1H3,(H2,27,32);2*4-6,11,19,32H,1,9-10,12-13H2,2-3H3,(H2,27,31);4-6,8,11,13,30H,3,10,12H2,1-2H3,(H2,23,28);7,10,12,28H,2-5,9,11H2,1H3,(H2,21,26)/t26-;19?,22-,23+;19?,22-,23-;22-;20-/m01000/s1.

What are the key properties of (5aS)-5,5-difluoro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-5a-methyl-4a,6-dihydro-4H-cyclopropa[f]indazole-3-carboxamide;(5aR)-5,5-difluoro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-5a-methyl-4a,6-dihydro-4H-cyclopropa[f]indazole-3-carboxamide;4-ethyl-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(pyrrolidin-1-ylmethyl)indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?

(5aS)-5,5-difluoro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-5a-methyl-4a,6-dihydro-4H-cyclopropa[f]indazole-3-carboxamide;(5aR)-5,5-difluoro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-5a-methyl-4a,6-dihydro-4H-cyclopropa[f]indazole-3-carboxamide;4-ethyl-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(pyrrolidin-1-ylmethyl)indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 2117.35 g/mol, XLogP of 7.43, 13 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (5aS)-5,5-difluoro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-5a-methyl-4a,6-dihydro-4H-cyclopropa[f]indazole-3-carboxamide;(5aR)-5,5-difluoro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-5a-methyl-4a,6-dihydro-4H-cyclopropa[f]indazole-3-carboxamide;4-ethyl-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(pyrrolidin-1-ylmethyl)indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 159646000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).