1-[2-amino-3-chloro-5-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide;1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-[(dimethylamino)methyl]piperidine-4-carboxamide;1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide;1-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-4-fluoropiperidine-4-carboxamide

C81H91Cl4F3N24O6S — CID 160528729

IUPAC1-[2-amino-3-chloro-5-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide;1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-[(dimethylamino)methyl]piperidine-4-carboxamide;1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide;1-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-4-fluoropiperidine-4-carboxamide
SMILESCN(C)CC1(C(N)=O)CCN(c2c(-c3ccc4c(cnn4C)c3)cnc(N)c2Cl)CC1.CN1c2ccc(-c3cnc(N)c(Cl)c3N3CCC(F)(C(N)=O)CC3)cc2CS1(=O)=O.Cn1cc(-c2ccc(-c3cnc(N)c(Cl)c3N3CCC(F)(C(N)=O)CC3)cc2)cn1.Cn1ncc2cc(-c3cnc(N)c(Cl)c3N3CCC(F)(C(N)=O)CC3)ccc21
InChIInChI=1S/C22H28ClN7O.C21H22ClFN6O.C19H20ClFN6O.C19H21ClFN5O3S/c1-28(2)13-22(21(25)31)6-8-30(9-7-22)19-16(12-26-20(24)18(19)23)14-4-5-17-15(10-14)11-27-29(17)3;1-28-12-15(10-27-28)13-2-4-14(5-3-13)16-11-26-19(24)17(22)18(16)29-8-6-21(23,7-9-29)20(25)30;1-26-14-3-2-11(8-12(14)9-25-26)13-10-24-17(22)15(20)16(13)27-6-4-19(21,5-7-27)18(23)28;1-25-14-3-2-11(8-12(14)10-30(25,28)29)13-9-24-17(22)15(20)16(13)26-6-4-19(21,5-7-26)18(23)27/h4-5,10-12H,6-9,13H2,1-3H3,(H2,24,26)(H2,25,31);2-5,10-12H,6-9H2,1H3,(H2,24,26)(H2,25,30);2-3,8-10H,4-7H2,1H3,(H2,22,24)(H2,23,28);2-3,8-9H,4-7,10H2,1H3,(H2,22,24)(H2,23,27)
InChIKeyQVGCZSIBSGFINV-UHFFFAOYSA-N
MW1727.65 g/mol
LogP10.41
Rot. Bonds15

About 1-[2-amino-3-chloro-5-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide;1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-[(dimethylamino)methyl]piperidine-4-carboxamide;1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide;1-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-4-fluoropiperidine-4-carboxamide

1-[2-amino-3-chloro-5-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide;1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-[(dimethylamino)methyl]piperidine-4-carboxamide;1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide;1-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-4-fluoropiperidine-4-carboxamide (PubChem CID 160528729) has the molecular formula C81H91Cl4F3N24O6S and a molecular weight of 1727.65 g/mol. Its IUPAC name is 1-[2-amino-3-chloro-5-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide;1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-[(dimethylamino)methyl]piperidine-4-carboxamide;1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide;1-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-4-fluoropiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-amino-3-chloro-5-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide;1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-[(dimethylamino)methyl]piperidine-4-carboxamide;1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide;1-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-4-fluoropiperidine-4-carboxamide
PubChem CID160528729
Molecular FormulaC81H91Cl4F3N24O6S
Molecular Weight1727.65 g/mol
Exact Mass1724.60
IUPAC Name1-[2-amino-3-chloro-5-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide;1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-[(dimethylamino)methyl]piperidine-4-carboxamide;1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide;1-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-4-fluoropiperidine-4-carboxamide
SMILESCN(C)CC1(C(N)=O)CCN(c2c(-c3ccc4c(cnn4C)c3)cnc(N)c2Cl)CC1.CN1c2ccc(-c3cnc(N)c(Cl)c3N3CCC(F)(C(N)=O)CC3)cc2CS1(=O)=O.Cn1cc(-c2ccc(-c3cnc(N)c(Cl)c3N3CCC(F)(C(N)=O)CC3)cc2)cn1.Cn1ncc2cc(-c3cnc(N)c(Cl)c3N3CCC(F)(C(N)=O)CC3)ccc21
InChIInChI=1S/C22H28ClN7O.C21H22ClFN6O.C19H20ClFN6O.C19H21ClFN5O3S/c1-28(2)13-22(21(25)31)6-8-30(9-7-22)19-16(12-26-20(24)18(19)23)14-4-5-17-15(10-14)11-27-29(17)3;1-28-12-15(10-27-28)13-2-4-14(5-3-13)16-11-26-19(24)17(22)18(16)29-8-6-21(23,7-9-29)20(25)30;1-26-14-3-2-11(8-12(14)9-25-26)13-10-24-17(22)15(20)16(13)27-6-4-19(21,5-7-27)18(23)28;1-25-14-3-2-11(8-12(14)10-30(25,28)29)13-9-24-17(22)15(20)16(13)26-6-4-19(21,5-7-26)18(23)27/h4-5,10-12H,6-9,13H2,1-3H3,(H2,24,26)(H2,25,31);2-5,10-12H,6-9H2,1H3,(H2,24,26)(H2,25,30);2-3,8-10H,4-7H2,1H3,(H2,22,24)(H2,23,28);2-3,8-9H,4-7,10H2,1H3,(H2,22,24)(H2,23,27)
InChIKeyQVGCZSIBSGFINV-UHFFFAOYSA-N
XLogP10.41
TPSA435.04 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds15
Heavy Atoms119
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001727.65
LogP ≤ 510.41
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Analyze 1-[2-amino-3-chloro-5-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide;1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-[(dimethylamino)methyl]piperidine-4-carboxamide;1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide;1-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-4-fluoropiperidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(methylsulfonylmethyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(2-oxo-2-piperidin-1-ylethyl)cyclohexane-1-carboxamide
CID 158414599

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-3-chloro-5-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide;1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-[(dimethylamino)methyl]piperidine-4-carboxamide;1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide;1-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-4-fluoropiperidine-4-carboxamide?
The IUPAC name of 1-[2-amino-3-chloro-5-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide;1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-[(dimethylamino)methyl]piperidine-4-carboxamide;1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide;1-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-4-fluoropiperidine-4-carboxamide (CID 160528729) is 1-[2-amino-3-chloro-5-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide;1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-[(dimethylamino)methyl]piperidine-4-carboxamide;1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide;1-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-4-fluoropiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-amino-3-chloro-5-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide;1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-[(dimethylamino)methyl]piperidine-4-carboxamide;1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide;1-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-4-fluoropiperidine-4-carboxamide?
The canonical SMILES for 1-[2-amino-3-chloro-5-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide;1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-[(dimethylamino)methyl]piperidine-4-carboxamide;1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide;1-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-4-fluoropiperidine-4-carboxamide is CN(C)CC1(C(N)=O)CCN(c2c(-c3ccc4c(cnn4C)c3)cnc(N)c2Cl)CC1.CN1c2ccc(-c3cnc(N)c(Cl)c3N3CCC(F)(C(N)=O)CC3)cc2CS1(=O)=O.Cn1cc(-c2ccc(-c3cnc(N)c(Cl)c3N3CCC(F)(C(N)=O)CC3)cc2)cn1.Cn1ncc2cc(-c3cnc(N)c(Cl)c3N3CCC(F)(C(N)=O)CC3)ccc21.
What is the InChIKey of 1-[2-amino-3-chloro-5-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide;1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-[(dimethylamino)methyl]piperidine-4-carboxamide;1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide;1-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-4-fluoropiperidine-4-carboxamide?
The InChIKey is QVGCZSIBSGFINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN7O.C21H22ClFN6O.C19H20ClFN6O.C19H21ClFN5O3S/c1-28(2)13-22(21(25)31)6-8-30(9-7-22)19-16(12-26-20(24)18(19)23)14-4-5-17-15(10-14)11-27-29(17)3;1-28-12-15(10-27-28)13-2-4-14(5-3-13)16-11-26-19(24)17(22)18(16)29-8-6-21(23,7-9-29)20(25)30;1-26-14-3-2-11(8-12(14)9-25-26)13-10-24-17(22)15(20)16(13)27-6-4-19(21,5-7-27)18(23)28;1-25-14-3-2-11(8-12(14)10-30(25,28)29)13-9-24-17(22)15(20)16(13)26-6-4-19(21,5-7-26)18(23)27/h4-5,10-12H,6-9,13H2,1-3H3,(H2,24,26)(H2,25,31);2-5,10-12H,6-9H2,1H3,(H2,24,26)(H2,25,30);2-3,8-10H,4-7H2,1H3,(H2,22,24)(H2,23,28);2-3,8-9H,4-7,10H2,1H3,(H2,22,24)(H2,23,27).
What are the key properties of 1-[2-amino-3-chloro-5-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide;1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-[(dimethylamino)methyl]piperidine-4-carboxamide;1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide;1-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-4-fluoropiperidine-4-carboxamide?
1-[2-amino-3-chloro-5-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide;1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-[(dimethylamino)methyl]piperidine-4-carboxamide;1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide;1-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-4-fluoropiperidine-4-carboxamide has a molecular weight of 1727.65 g/mol, XLogP of 10.41, 15 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-3-chloro-5-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide;1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-[(dimethylamino)methyl]piperidine-4-carboxamide;1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide;1-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-4-fluoropiperidine-4-carboxamide is sourced from PubChem (CID 160528729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).