(1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-[1-(5-chloro-2-pyridinyl)ethenyl]piperidin-4-yl]-2-methylpropan-1-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclobutylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethylpiperidine-1-carboxamide

C83H109Cl5N16O7 — CID 157335946

IUPAC(1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-[1-(5-chloro-2-pyridinyl)ethenyl]piperidin-4-yl]-2-methylpropan-1-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclobutylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethylpiperidine-1-carboxamide
SMILESC=C(c1ccc(Cl)cn1)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.CC(C)(C1CCN(C(=O)NC2CC2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12.CC(C)(C1CCN(C(=O)NC2CCC2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12.CCNC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1
InChIInChI=1S/C23H26Cl2N4O.C21H29ClN4O2.C20H27ClN4O2.C19H27ClN4O2/c1-14(20-5-4-17(24)13-26-20)29-8-6-16(7-9-29)23(2,3)22(30)19-11-18(25)10-15-12-27-28-21(15)19;1-21(2,19(27)17-11-15(22)10-13-12-23-25-18(13)17)14-6-8-26(9-7-14)20(28)24-16-4-3-5-16;1-20(2,13-5-7-25(8-6-13)19(27)23-15-3-4-15)18(26)16-10-14(21)9-12-11-22-24-17(12)16;1-4-21-18(26)24-7-5-13(6-8-24)19(2,3)17(25)15-10-14(20)9-12-11-22-23-16(12)15/h4-5,10-13,16,22,30H,1,6-9H2,2-3H3,(H,27,28);10-12,14,16,19,27H,3-9H2,1-2H3,(H,23,25)(H,24,28);9-11,13,15,18,26H,3-8H2,1-2H3,(H,22,24)(H,23,27);9-11,13,17,25H,4-8H2,1-3H3,(H,21,26)(H,22,23)/t22-;19-;18-;17-/m1111/s1
InChIKeyBFVLXIRFNGFKAL-UVDFXKGXSA-N
MW1620.15 g/mol
LogP17.53
Rot. Bonds17

About (1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-[1-(5-chloro-2-pyridinyl)ethenyl]piperidin-4-yl]-2-methylpropan-1-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclobutylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethylpiperidine-1-carboxamide

(1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-[1-(5-chloro-2-pyridinyl)ethenyl]piperidin-4-yl]-2-methylpropan-1-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclobutylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethylpiperidine-1-carboxamide (PubChem CID 157335946) has the molecular formula C83H109Cl5N16O7 and a molecular weight of 1620.15 g/mol. Its IUPAC name is (1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-[1-(5-chloro-2-pyridinyl)ethenyl]piperidin-4-yl]-2-methylpropan-1-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclobutylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-[1-(5-chloro-2-pyridinyl)ethenyl]piperidin-4-yl]-2-methylpropan-1-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclobutylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethylpiperidine-1-carboxamide
PubChem CID157335946
Molecular FormulaC83H109Cl5N16O7
Molecular Weight1620.15 g/mol
Exact Mass1616.71
IUPAC Name(1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-[1-(5-chloro-2-pyridinyl)ethenyl]piperidin-4-yl]-2-methylpropan-1-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclobutylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethylpiperidine-1-carboxamide
SMILESC=C(c1ccc(Cl)cn1)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.CC(C)(C1CCN(C(=O)NC2CC2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12.CC(C)(C1CCN(C(=O)NC2CCC2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12.CCNC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1
InChIInChI=1S/C23H26Cl2N4O.C21H29ClN4O2.C20H27ClN4O2.C19H27ClN4O2/c1-14(20-5-4-17(24)13-26-20)29-8-6-16(7-9-29)23(2,3)22(30)19-11-18(25)10-15-12-27-28-21(15)19;1-21(2,19(27)17-11-15(22)10-13-12-23-25-18(13)17)14-6-8-26(9-7-14)20(28)24-16-4-3-5-16;1-20(2,13-5-7-25(8-6-13)19(27)23-15-3-4-15)18(26)16-10-14(21)9-12-11-22-24-17(12)16;1-4-21-18(26)24-7-5-13(6-8-24)19(2,3)17(25)15-10-14(20)9-12-11-22-23-16(12)15/h4-5,10-13,16,22,30H,1,6-9H2,2-3H3,(H,27,28);10-12,14,16,19,27H,3-9H2,1-2H3,(H,23,25)(H,24,28);9-11,13,15,18,26H,3-8H2,1-2H3,(H,22,24)(H,23,27);9-11,13,17,25H,4-8H2,1-3H3,(H,21,26)(H,22,23)/t22-;19-;18-;17-/m1111/s1
InChIKeyBFVLXIRFNGFKAL-UVDFXKGXSA-N
XLogP17.53
TPSA308.79 Ų
H-Bond Donors11
H-Bond Acceptors13
Rotatable Bonds17
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001620.15
LogP ≤ 517.53
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1013

Analyze (1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-[1-(5-chloro-2-pyridinyl)ethenyl]piperidin-4-yl]-2-methylpropan-1-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclobutylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethylpiperidine-1-carboxamide with MolForge

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Related Compounds

4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 134373824
4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(1-methylidene-1-oxo-1,2-thiazolidin-2-yl)ethyl]piperidine-1-carboxamide
CID 158573725
1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one
CID 134373837
4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(6-ethynyl-3-pyridinyl)methyl]piperidine-1-carboxamide
CID 161429067
4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 134373872
4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-pyridin-3-ylpiperidine-1-carboxamide
CID 134410293
1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 134373971
4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoro-4-methylphenyl)piperidine-1-carboxamide
CID 160964187
2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 139528534
1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(diethylamino)ethanone
CID 139532855
4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-cyano-3-pyridinyl)piperidine-1-carboxamide
CID 134373310
[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(1-sulfinyl-1,4-thiazinan-4-yl)methanone
CID 139532873

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-[1-(5-chloro-2-pyridinyl)ethenyl]piperidin-4-yl]-2-methylpropan-1-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclobutylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethylpiperidine-1-carboxamide?
The IUPAC name of (1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-[1-(5-chloro-2-pyridinyl)ethenyl]piperidin-4-yl]-2-methylpropan-1-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclobutylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethylpiperidine-1-carboxamide (CID 157335946) is (1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-[1-(5-chloro-2-pyridinyl)ethenyl]piperidin-4-yl]-2-methylpropan-1-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclobutylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethylpiperidine-1-carboxamide.
What is the SMILES notation for (1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-[1-(5-chloro-2-pyridinyl)ethenyl]piperidin-4-yl]-2-methylpropan-1-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclobutylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethylpiperidine-1-carboxamide?
The canonical SMILES for (1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-[1-(5-chloro-2-pyridinyl)ethenyl]piperidin-4-yl]-2-methylpropan-1-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclobutylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethylpiperidine-1-carboxamide is C=C(c1ccc(Cl)cn1)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.CC(C)(C1CCN(C(=O)NC2CC2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12.CC(C)(C1CCN(C(=O)NC2CCC2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12.CCNC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.
What is the InChIKey of (1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-[1-(5-chloro-2-pyridinyl)ethenyl]piperidin-4-yl]-2-methylpropan-1-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclobutylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethylpiperidine-1-carboxamide?
The InChIKey is BFVLXIRFNGFKAL-UVDFXKGXSA-N. The full InChI is InChI=1S/C23H26Cl2N4O.C21H29ClN4O2.C20H27ClN4O2.C19H27ClN4O2/c1-14(20-5-4-17(24)13-26-20)29-8-6-16(7-9-29)23(2,3)22(30)19-11-18(25)10-15-12-27-28-21(15)19;1-21(2,19(27)17-11-15(22)10-13-12-23-25-18(13)17)14-6-8-26(9-7-14)20(28)24-16-4-3-5-16;1-20(2,13-5-7-25(8-6-13)19(27)23-15-3-4-15)18(26)16-10-14(21)9-12-11-22-24-17(12)16;1-4-21-18(26)24-7-5-13(6-8-24)19(2,3)17(25)15-10-14(20)9-12-11-22-23-16(12)15/h4-5,10-13,16,22,30H,1,6-9H2,2-3H3,(H,27,28);10-12,14,16,19,27H,3-9H2,1-2H3,(H,23,25)(H,24,28);9-11,13,15,18,26H,3-8H2,1-2H3,(H,22,24)(H,23,27);9-11,13,17,25H,4-8H2,1-3H3,(H,21,26)(H,22,23)/t22-;19-;18-;17-/m1111/s1.
What are the key properties of (1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-[1-(5-chloro-2-pyridinyl)ethenyl]piperidin-4-yl]-2-methylpropan-1-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclobutylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethylpiperidine-1-carboxamide?
(1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-[1-(5-chloro-2-pyridinyl)ethenyl]piperidin-4-yl]-2-methylpropan-1-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclobutylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethylpiperidine-1-carboxamide has a molecular weight of 1620.15 g/mol, XLogP of 17.53, 17 rotatable bonds, 11 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-[1-(5-chloro-2-pyridinyl)ethenyl]piperidin-4-yl]-2-methylpropan-1-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclobutylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethylpiperidine-1-carboxamide is sourced from PubChem (CID 157335946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).