bis(N-[3-(cyclopentylmethoxy)-1H-indazol-6-yl]pyridine-2-carboxamide);N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetyl]-1-methylindazol-6-yl]pyridine-2-carboxamide;5-fluoro-N-[1-methyl-3-(oxan-4-ylmethoxy)indazol-6-yl]pyridine-2-carboxamide

C98H100F2N20O13 — CID 158095275

IUPACbis(N-[3-(cyclopentylmethoxy)-1H-indazol-6-yl]pyridine-2-carboxamide);N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetyl]-1-methylindazol-6-yl]pyridine-2-carboxamide;5-fluoro-N-[1-methyl-3-(oxan-4-ylmethoxy)indazol-6-yl]pyridine-2-carboxamide
SMILESCn1nc(C(=O)CC23CC(F)(C2)C3)c2ccc(NC(=O)c3ccccn3)cc21.Cn1nc(OCC2CCOCC2)c2ccc(NC(=O)c3ccc(F)cn3)cc21.Cn1nc(OC[C@@H]2COCCO2)c2ccc(NC(=O)c3ccccn3)cc21.O=C(Nc1ccc2c(OCC3CCCC3)n[nH]c2c1)c1ccccn1.O=C(Nc1ccc2c(OCC3CCCC3)n[nH]c2c1)c1ccccn1
InChIInChI=1S/C21H19FN4O2.C20H21FN4O3.C19H20N4O4.2C19H20N4O2/c1-26-16-8-13(24-19(28)15-4-2-3-7-23-15)5-6-14(16)18(25-26)17(27)9-20-10-21(22,11-20)12-20;1-25-18-10-15(23-19(26)17-5-2-14(21)11-22-17)3-4-16(18)20(24-25)28-12-13-6-8-27-9-7-13;1-23-17-10-13(21-18(24)16-4-2-3-7-20-16)5-6-15(17)19(22-23)27-12-14-11-25-8-9-26-14;2*24-18(16-7-3-4-10-20-16)21-14-8-9-15-17(11-14)22-23-19(15)25-12-13-5-1-2-6-13/h2-8H,9-12H2,1H3,(H,24,28);2-5,10-11,13H,6-9,12H2,1H3,(H,23,26);2-7,10,14H,8-9,11-12H2,1H3,(H,21,24);2*3-4,7-11,13H,1-2,5-6,12H2,(H,21,24)(H,22,23)/t;;14-;;/m..0../s1
InChIKeyFOOZIRODNCQHJY-GLAWKEQLSA-N
MW1804.00 g/mol
LogP16.42
Rot. Bonds25

About bis(N-[3-(cyclopentylmethoxy)-1H-indazol-6-yl]pyridine-2-carboxamide);N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetyl]-1-methylindazol-6-yl]pyridine-2-carboxamide;5-fluoro-N-[1-methyl-3-(oxan-4-ylmethoxy)indazol-6-yl]pyridine-2-carboxamide

bis(N-[3-(cyclopentylmethoxy)-1H-indazol-6-yl]pyridine-2-carboxamide);N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetyl]-1-methylindazol-6-yl]pyridine-2-carboxamide;5-fluoro-N-[1-methyl-3-(oxan-4-ylmethoxy)indazol-6-yl]pyridine-2-carboxamide (PubChem CID 158095275) has the molecular formula C98H100F2N20O13 and a molecular weight of 1804.00 g/mol. Its IUPAC name is bis(N-[3-(cyclopentylmethoxy)-1H-indazol-6-yl]pyridine-2-carboxamide);N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetyl]-1-methylindazol-6-yl]pyridine-2-carboxamide;5-fluoro-N-[1-methyl-3-(oxan-4-ylmethoxy)indazol-6-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Namebis(N-[3-(cyclopentylmethoxy)-1H-indazol-6-yl]pyridine-2-carboxamide);N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetyl]-1-methylindazol-6-yl]pyridine-2-carboxamide;5-fluoro-N-[1-methyl-3-(oxan-4-ylmethoxy)indazol-6-yl]pyridine-2-carboxamide
PubChem CID158095275
Molecular FormulaC98H100F2N20O13
Molecular Weight1804.00 g/mol
Exact Mass1802.77
IUPAC Namebis(N-[3-(cyclopentylmethoxy)-1H-indazol-6-yl]pyridine-2-carboxamide);N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetyl]-1-methylindazol-6-yl]pyridine-2-carboxamide;5-fluoro-N-[1-methyl-3-(oxan-4-ylmethoxy)indazol-6-yl]pyridine-2-carboxamide
SMILESCn1nc(C(=O)CC23CC(F)(C2)C3)c2ccc(NC(=O)c3ccccn3)cc21.Cn1nc(OCC2CCOCC2)c2ccc(NC(=O)c3ccc(F)cn3)cc21.Cn1nc(OC[C@@H]2COCCO2)c2ccc(NC(=O)c3ccccn3)cc21.O=C(Nc1ccc2c(OCC3CCCC3)n[nH]c2c1)c1ccccn1.O=C(Nc1ccc2c(OCC3CCCC3)n[nH]c2c1)c1ccccn1
InChIInChI=1S/C21H19FN4O2.C20H21FN4O3.C19H20N4O4.2C19H20N4O2/c1-26-16-8-13(24-19(28)15-4-2-3-7-23-15)5-6-14(16)18(25-26)17(27)9-20-10-21(22,11-20)12-20;1-25-18-10-15(23-19(26)17-5-2-14(21)11-22-17)3-4-16(18)20(24-25)28-12-13-6-8-27-9-7-13;1-23-17-10-13(21-18(24)16-4-2-3-7-20-16)5-6-15(17)19(22-23)27-12-14-11-25-8-9-26-14;2*24-18(16-7-3-4-10-20-16)21-14-8-9-15-17(11-14)22-23-19(15)25-12-13-5-1-2-6-13/h2-8H,9-12H2,1H3,(H,24,28);2-5,10-11,13H,6-9,12H2,1H3,(H,23,26);2-7,10,14H,8-9,11-12H2,1H3,(H,21,24);2*3-4,7-11,13H,1-2,5-6,12H2,(H,21,24)(H,22,23)/t;;14-;;/m..0../s1
InChIKeyFOOZIRODNCQHJY-GLAWKEQLSA-N
XLogP16.42
TPSA402.45 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds25
Heavy Atoms133
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001804.00
LogP ≤ 516.42
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Analyze bis(N-[3-(cyclopentylmethoxy)-1H-indazol-6-yl]pyridine-2-carboxamide);N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetyl]-1-methylindazol-6-yl]pyridine-2-carboxamide;5-fluoro-N-[1-methyl-3-(oxan-4-ylmethoxy)indazol-6-yl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(N-[3-(cyclopentylmethoxy)-1H-indazol-6-yl]pyridine-2-carboxamide);N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetyl]-1-methylindazol-6-yl]pyridine-2-carboxamide;5-fluoro-N-[1-methyl-3-(oxan-4-ylmethoxy)indazol-6-yl]pyridine-2-carboxamide?
The IUPAC name of bis(N-[3-(cyclopentylmethoxy)-1H-indazol-6-yl]pyridine-2-carboxamide);N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetyl]-1-methylindazol-6-yl]pyridine-2-carboxamide;5-fluoro-N-[1-methyl-3-(oxan-4-ylmethoxy)indazol-6-yl]pyridine-2-carboxamide (CID 158095275) is bis(N-[3-(cyclopentylmethoxy)-1H-indazol-6-yl]pyridine-2-carboxamide);N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetyl]-1-methylindazol-6-yl]pyridine-2-carboxamide;5-fluoro-N-[1-methyl-3-(oxan-4-ylmethoxy)indazol-6-yl]pyridine-2-carboxamide.
What is the SMILES notation for bis(N-[3-(cyclopentylmethoxy)-1H-indazol-6-yl]pyridine-2-carboxamide);N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetyl]-1-methylindazol-6-yl]pyridine-2-carboxamide;5-fluoro-N-[1-methyl-3-(oxan-4-ylmethoxy)indazol-6-yl]pyridine-2-carboxamide?
The canonical SMILES for bis(N-[3-(cyclopentylmethoxy)-1H-indazol-6-yl]pyridine-2-carboxamide);N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetyl]-1-methylindazol-6-yl]pyridine-2-carboxamide;5-fluoro-N-[1-methyl-3-(oxan-4-ylmethoxy)indazol-6-yl]pyridine-2-carboxamide is Cn1nc(C(=O)CC23CC(F)(C2)C3)c2ccc(NC(=O)c3ccccn3)cc21.Cn1nc(OCC2CCOCC2)c2ccc(NC(=O)c3ccc(F)cn3)cc21.Cn1nc(OC[C@@H]2COCCO2)c2ccc(NC(=O)c3ccccn3)cc21.O=C(Nc1ccc2c(OCC3CCCC3)n[nH]c2c1)c1ccccn1.O=C(Nc1ccc2c(OCC3CCCC3)n[nH]c2c1)c1ccccn1.
What is the InChIKey of bis(N-[3-(cyclopentylmethoxy)-1H-indazol-6-yl]pyridine-2-carboxamide);N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetyl]-1-methylindazol-6-yl]pyridine-2-carboxamide;5-fluoro-N-[1-methyl-3-(oxan-4-ylmethoxy)indazol-6-yl]pyridine-2-carboxamide?
The InChIKey is FOOZIRODNCQHJY-GLAWKEQLSA-N. The full InChI is InChI=1S/C21H19FN4O2.C20H21FN4O3.C19H20N4O4.2C19H20N4O2/c1-26-16-8-13(24-19(28)15-4-2-3-7-23-15)5-6-14(16)18(25-26)17(27)9-20-10-21(22,11-20)12-20;1-25-18-10-15(23-19(26)17-5-2-14(21)11-22-17)3-4-16(18)20(24-25)28-12-13-6-8-27-9-7-13;1-23-17-10-13(21-18(24)16-4-2-3-7-20-16)5-6-15(17)19(22-23)27-12-14-11-25-8-9-26-14;2*24-18(16-7-3-4-10-20-16)21-14-8-9-15-17(11-14)22-23-19(15)25-12-13-5-1-2-6-13/h2-8H,9-12H2,1H3,(H,24,28);2-5,10-11,13H,6-9,12H2,1H3,(H,23,26);2-7,10,14H,8-9,11-12H2,1H3,(H,21,24);2*3-4,7-11,13H,1-2,5-6,12H2,(H,21,24)(H,22,23)/t;;14-;;/m..0../s1.
What are the key properties of bis(N-[3-(cyclopentylmethoxy)-1H-indazol-6-yl]pyridine-2-carboxamide);N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetyl]-1-methylindazol-6-yl]pyridine-2-carboxamide;5-fluoro-N-[1-methyl-3-(oxan-4-ylmethoxy)indazol-6-yl]pyridine-2-carboxamide?
bis(N-[3-(cyclopentylmethoxy)-1H-indazol-6-yl]pyridine-2-carboxamide);N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetyl]-1-methylindazol-6-yl]pyridine-2-carboxamide;5-fluoro-N-[1-methyl-3-(oxan-4-ylmethoxy)indazol-6-yl]pyridine-2-carboxamide has a molecular weight of 1804.00 g/mol, XLogP of 16.42, 25 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[3-(cyclopentylmethoxy)-1H-indazol-6-yl]pyridine-2-carboxamide);N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetyl]-1-methylindazol-6-yl]pyridine-2-carboxamide;5-fluoro-N-[1-methyl-3-(oxan-4-ylmethoxy)indazol-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 158095275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).