5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-piperidin-1-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-propan-2-ylsulfonyl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide

C103H108F2N24O13S4 — CID 158448745

IUPAC5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-piperidin-1-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-propan-2-ylsulfonyl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)CC5)c4)cc23)cn1.CC(C)S(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCCC5)c4)cc23)cn1.CC(C)S(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCCCC5)c4)cc23)cn1.CC(C)S(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCOCC5)c4)cc23)cn1
InChIInChI=1S/C27H28F2N6O3S.C26H28N6O3S.C25H26N6O4S.C25H26N6O3S/c1-17(2)39(37,38)24-6-4-21(15-31-24)32-26(36)25-22-12-19(3-5-23(22)33-34-25)20-11-18(13-30-14-20)16-35-9-7-27(28,29)8-10-35;1-17(2)36(34,35)24-9-7-20(15-28-24)29-26(33)25-22-13-18(6-8-23(22)30-31-25)19-12-21(16-27-14-19)32-10-4-3-5-11-32;1-16(2)36(33,34)23-6-4-19(14-27-23)28-25(32)24-21-12-17(3-5-22(21)29-30-24)18-11-20(15-26-13-18)31-7-9-35-10-8-31;1-16(2)35(33,34)23-8-6-19(14-27-23)28-25(32)24-21-12-17(5-7-22(21)29-30-24)18-11-20(15-26-13-18)31-9-3-4-10-31/h3-6,11-15,17H,7-10,16H2,1-2H3,(H,32,36)(H,33,34);6-9,12-17H,3-5,10-11H2,1-2H3,(H,29,33)(H,30,31);3-6,11-16H,7-10H2,1-2H3,(H,28,32)(H,29,30);5-8,11-16H,3-4,9-10H2,1-2H3,(H,28,32)(H,29,30)
InChIKeyHDSFIHHQSOYFDK-UHFFFAOYSA-N
MW2056.42 g/mol
LogP16.48
Rot. Bonds25

About 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-piperidin-1-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-propan-2-ylsulfonyl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide

5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-piperidin-1-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-propan-2-ylsulfonyl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 158448745) has the molecular formula C103H108F2N24O13S4 and a molecular weight of 2056.42 g/mol. Its IUPAC name is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-piperidin-1-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-propan-2-ylsulfonyl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-piperidin-1-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-propan-2-ylsulfonyl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
PubChem CID158448745
Molecular FormulaC103H108F2N24O13S4
Molecular Weight2056.42 g/mol
Exact Mass2054.74
IUPAC Name5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-piperidin-1-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-propan-2-ylsulfonyl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)CC5)c4)cc23)cn1.CC(C)S(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCCC5)c4)cc23)cn1.CC(C)S(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCCCC5)c4)cc23)cn1.CC(C)S(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCOCC5)c4)cc23)cn1
InChIInChI=1S/C27H28F2N6O3S.C26H28N6O3S.C25H26N6O4S.C25H26N6O3S/c1-17(2)39(37,38)24-6-4-21(15-31-24)32-26(36)25-22-12-19(3-5-23(22)33-34-25)20-11-18(13-30-14-20)16-35-9-7-27(28,29)8-10-35;1-17(2)36(34,35)24-9-7-20(15-28-24)29-26(33)25-22-13-18(6-8-23(22)30-31-25)19-12-21(16-27-14-19)32-10-4-3-5-11-32;1-16(2)36(33,34)23-6-4-19(14-27-23)28-25(32)24-21-12-17(3-5-22(21)29-30-24)18-11-20(15-26-13-18)31-7-9-35-10-8-31;1-16(2)35(33,34)23-8-6-19(14-27-23)28-25(32)24-21-12-17(5-7-22(21)29-30-24)18-11-20(15-26-13-18)31-9-3-4-10-31/h3-6,11-15,17H,7-10,16H2,1-2H3,(H,32,36)(H,33,34);6-9,12-17H,3-5,10-11H2,1-2H3,(H,29,33)(H,30,31);3-6,11-16H,7-10H2,1-2H3,(H,28,32)(H,29,30);5-8,11-16H,3-4,9-10H2,1-2H3,(H,28,32)(H,29,30)
InChIKeyHDSFIHHQSOYFDK-UHFFFAOYSA-N
XLogP16.48
TPSA492.99 Ų
H-Bond Donors8
H-Bond Acceptors29
Rotatable Bonds25
Heavy Atoms146
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002056.42
LogP ≤ 516.48
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1029

Analyze 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-piperidin-1-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-propan-2-ylsulfonyl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-piperidin-1-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-propan-2-ylsulfonyl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-piperidin-1-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-propan-2-ylsulfonyl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (CID 158448745) is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-piperidin-1-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-propan-2-ylsulfonyl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-piperidin-1-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-propan-2-ylsulfonyl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-piperidin-1-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-propan-2-ylsulfonyl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide is CC(C)S(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)CC5)c4)cc23)cn1.CC(C)S(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCCC5)c4)cc23)cn1.CC(C)S(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCCCC5)c4)cc23)cn1.CC(C)S(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCOCC5)c4)cc23)cn1.
What is the InChIKey of 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-piperidin-1-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-propan-2-ylsulfonyl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The InChIKey is HDSFIHHQSOYFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N6O3S.C26H28N6O3S.C25H26N6O4S.C25H26N6O3S/c1-17(2)39(37,38)24-6-4-21(15-31-24)32-26(36)25-22-12-19(3-5-23(22)33-34-25)20-11-18(13-30-14-20)16-35-9-7-27(28,29)8-10-35;1-17(2)36(34,35)24-9-7-20(15-28-24)29-26(33)25-22-13-18(6-8-23(22)30-31-25)19-12-21(16-27-14-19)32-10-4-3-5-11-32;1-16(2)36(33,34)23-6-4-19(14-27-23)28-25(32)24-21-12-17(3-5-22(21)29-30-24)18-11-20(15-26-13-18)31-7-9-35-10-8-31;1-16(2)35(33,34)23-8-6-19(14-27-23)28-25(32)24-21-12-17(5-7-22(21)29-30-24)18-11-20(15-26-13-18)31-9-3-4-10-31/h3-6,11-15,17H,7-10,16H2,1-2H3,(H,32,36)(H,33,34);6-9,12-17H,3-5,10-11H2,1-2H3,(H,29,33)(H,30,31);3-6,11-16H,7-10H2,1-2H3,(H,28,32)(H,29,30);5-8,11-16H,3-4,9-10H2,1-2H3,(H,28,32)(H,29,30).
What are the key properties of 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-piperidin-1-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-propan-2-ylsulfonyl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-piperidin-1-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-propan-2-ylsulfonyl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 2056.42 g/mol, XLogP of 16.48, 25 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-piperidin-1-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-propan-2-ylsulfonyl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 158448745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).