(1R,5S)-3-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropyl-8-azabicyclo[3.2.1]octane-8-carboxamide;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(1,1-difluoroethyl)phenyl]piperidine-1-carboxamide;(1R,5S)-3-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethyl-8-azabicyclo[3.2.1]octane-8-carboxamide;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]but-3-yn-1-one

C88H111Cl4F2N15O8 — CID 157262870

About (1R,5S)-3-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropyl-8-azabicyclo[3.2.1]octane-8-carboxamide;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(1,1-difluoroethyl)phenyl]piperidine-1-carboxamide;(1R,5S)-3-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethyl-8-azabicyclo[3.2.1]octane-8-carboxamide;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]but-3-yn-1-one

(1R,5S)-3-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropyl-8-azabicyclo[3.2.1]octane-8-carboxamide;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(1,1-difluoroethyl)phenyl]piperidine-1-carboxamide;(1R,5S)-3-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethyl-8-azabicyclo[3.2.1]octane-8-carboxamide;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]but-3-yn-1-one (PubChem CID 157262870) has the molecular formula C88H111Cl4F2N15O8 and a molecular weight of 1686.76 g/mol. Its IUPAC name is (1R,5S)-3-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropyl-8-azabicyclo[3.2.1]octane-8-carboxamide;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(1,1-difluoroethyl)phenyl]piperidine-1-carboxamide;(1R,5S)-3-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethyl-8-azabicyclo[3.2.1]octane-8-carboxamide;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]but-3-yn-1-one.

Molecular Properties

• Compound Name: (1R,5S)-3-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropyl-8-azabicyclo[3.2.1]octane-8-carboxamide;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(1,1-difluoroethyl)phenyl]piperidine-1-carboxamide;(1R,5S)-3-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethyl-8-azabicyclo[3.2.1]octane-8-carboxamide;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]but-3-yn-1-one
• PubChem CID: 157262870
• Molecular Formula: C88H111Cl4F2N15O8
• Molecular Weight: 1686.76 g/mol
• Exact Mass: 1683.75
• IUPAC Name: (1R,5S)-3-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropyl-8-azabicyclo[3.2.1]octane-8-carboxamide;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(1,1-difluoroethyl)phenyl]piperidine-1-carboxamide;(1R,5S)-3-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethyl-8-azabicyclo[3.2.1]octane-8-carboxamide;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]but-3-yn-1-one
• SMILES: C#CCC(=O)N1CCC(C(C)(C)[C@@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.CC(C)(C1C[C@H]2CC[C@@H](C1)N2C(=O)NC1CC1)C(O)c1cc(Cl)cc2cn[nH]c12.CC(F)(F)c1ccccc1NC(=O)N1CCC(C(C)(C)[C@@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.CCNC(=O)N1[C@@H]2CC[C@H]1CC(C(C)(C)C(O)c1cc(Cl)cc3cn[nH]c13)C2
• InChI: InChI=1S/C25H29ClF2N4O2.C22H29ClN4O2.C21H29ClN4O2.C20H24ClN3O2/c1-24(2,22(33)18-13-17(26)12-15-14-29-31-21(15)18)16-8-10-32(11-9-16)23(34)30-20-7-5-4-6-19(20)25(3,27)28;1-22(2,20(28)18-10-14(23)7-12-11-24-26-19(12)18)13-8-16-5-6-17(9-13)27(16)21(29)25-15-3-4-15;1-4-23-20(28)26-15-5-6-16(26)9-13(8-15)21(2,3)19(27)17-10-14(22)7-12-11-24-25-18(12)17;1-4-5-17(25)24-8-6-14(7-9-24)20(2,3)19(26)16-11-15(21)10-13-12-22-23-18(13)16/h4-7,12-14,16,22,33H,8-11H2,1-3H3,(H,29,31)(H,30,34);7,10-11,13,15-17,20,28H,3-6,8-9H2,1-2H3,(H,24,26)(H,25,29);7,10-11,13,15-16,19,27H,4-6,8-9H2,1-3H3,(H,23,28)(H,24,25);1,10-12,14,19,26H,5-9H2,2-3H3,(H,22,23)/t22-;13?,16-,17+,20?;13?,15-,16+,19?;19-/m0..0/s1
• InChIKey: AXQYDGBFOMGBMN-AYFKXHRLSA-N
• XLogP: 18.51
• TPSA: 312.97 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1686.76
LogP ≤ 5	18.51
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropyl-8-azabicyclo[3.2.1]octane-8-carboxamide;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(1,1-difluoroethyl)phenyl]piperidine-1-carboxamide;(1R,5S)-3-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethyl-8-azabicyclo[3.2.1]octane-8-carboxamide;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]but-3-yn-1-one?

The IUPAC name of (1R,5S)-3-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropyl-8-azabicyclo[3.2.1]octane-8-carboxamide;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(1,1-difluoroethyl)phenyl]piperidine-1-carboxamide;(1R,5S)-3-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethyl-8-azabicyclo[3.2.1]octane-8-carboxamide;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]but-3-yn-1-one (CID 157262870) is (1R,5S)-3-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropyl-8-azabicyclo[3.2.1]octane-8-carboxamide;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(1,1-difluoroethyl)phenyl]piperidine-1-carboxamide;(1R,5S)-3-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethyl-8-azabicyclo[3.2.1]octane-8-carboxamide;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]but-3-yn-1-one.

What is the SMILES notation for (1R,5S)-3-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropyl-8-azabicyclo[3.2.1]octane-8-carboxamide;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(1,1-difluoroethyl)phenyl]piperidine-1-carboxamide;(1R,5S)-3-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethyl-8-azabicyclo[3.2.1]octane-8-carboxamide;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]but-3-yn-1-one?

The canonical SMILES for (1R,5S)-3-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropyl-8-azabicyclo[3.2.1]octane-8-carboxamide;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(1,1-difluoroethyl)phenyl]piperidine-1-carboxamide;(1R,5S)-3-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethyl-8-azabicyclo[3.2.1]octane-8-carboxamide;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]but-3-yn-1-one is C#CCC(=O)N1CCC(C(C)(C)[C@@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.CC(C)(C1C[C@H]2CC[C@@H](C1)N2C(=O)NC1CC1)C(O)c1cc(Cl)cc2cn[nH]c12.CC(F)(F)c1ccccc1NC(=O)N1CCC(C(C)(C)[C@@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.CCNC(=O)N1[C@@H]2CC[C@H]1CC(C(C)(C)C(O)c1cc(Cl)cc3cn[nH]c13)C2.

What is the InChIKey of (1R,5S)-3-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropyl-8-azabicyclo[3.2.1]octane-8-carboxamide;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(1,1-difluoroethyl)phenyl]piperidine-1-carboxamide;(1R,5S)-3-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethyl-8-azabicyclo[3.2.1]octane-8-carboxamide;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]but-3-yn-1-one?

The InChIKey is AXQYDGBFOMGBMN-AYFKXHRLSA-N. The full InChI is InChI=1S/C25H29ClF2N4O2.C22H29ClN4O2.C21H29ClN4O2.C20H24ClN3O2/c1-24(2,22(33)18-13-17(26)12-15-14-29-31-21(15)18)16-8-10-32(11-9-16)23(34)30-20-7-5-4-6-19(20)25(3,27)28;1-22(2,20(28)18-10-14(23)7-12-11-24-26-19(12)18)13-8-16-5-6-17(9-13)27(16)21(29)25-15-3-4-15;1-4-23-20(28)26-15-5-6-16(26)9-13(8-15)21(2,3)19(27)17-10-14(22)7-12-11-24-25-18(12)17;1-4-5-17(25)24-8-6-14(7-9-24)20(2,3)19(26)16-11-15(21)10-13-12-22-23-18(13)16/h4-7,12-14,16,22,33H,8-11H2,1-3H3,(H,29,31)(H,30,34);7,10-11,13,15-17,20,28H,3-6,8-9H2,1-2H3,(H,24,26)(H,25,29);7,10-11,13,15-16,19,27H,4-6,8-9H2,1-3H3,(H,23,28)(H,24,25);1,10-12,14,19,26H,5-9H2,2-3H3,(H,22,23)/t22-;13?,16-,17+,20?;13?,15-,16+,19?;19-/m0..0/s1.

What are the key properties of (1R,5S)-3-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropyl-8-azabicyclo[3.2.1]octane-8-carboxamide;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(1,1-difluoroethyl)phenyl]piperidine-1-carboxamide;(1R,5S)-3-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethyl-8-azabicyclo[3.2.1]octane-8-carboxamide;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]but-3-yn-1-one?

(1R,5S)-3-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropyl-8-azabicyclo[3.2.1]octane-8-carboxamide;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(1,1-difluoroethyl)phenyl]piperidine-1-carboxamide;(1R,5S)-3-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethyl-8-azabicyclo[3.2.1]octane-8-carboxamide;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]but-3-yn-1-one has a molecular weight of 1686.76 g/mol, XLogP of 18.51, 17 rotatable bonds, 11 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,5S)-3-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropyl-8-azabicyclo[3.2.1]octane-8-carboxamide;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(1,1-difluoroethyl)phenyl]piperidine-1-carboxamide;(1R,5S)-3-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethyl-8-azabicyclo[3.2.1]octane-8-carboxamide;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]but-3-yn-1-one is sourced from PubChem (CID 157262870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).