N-[4-[2-chloro-4-[(2-methylpropan-2-yl)oxy]phenyl]-6-piperidin-1-ylpyrimidin-2-yl]-1H-indazol-3-amine;1-[6-(2-chlorophenyl)-2-[(5-fluoro-1H-indazol-3-yl)amino]pyrimidin-4-yl]piperidin-3-one;N-[4-(2-chlorophenyl)-6-piperazin-1-ylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine;N-[4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine

C92H87Cl3F5N25O2 — CID 159558467

IUPACN-[4-[2-chloro-4-[(2-methylpropan-2-yl)oxy]phenyl]-6-piperidin-1-ylpyrimidin-2-yl]-1H-indazol-3-amine;1-[6-(2-chlorophenyl)-2-[(5-fluoro-1H-indazol-3-yl)amino]pyrimidin-4-yl]piperidin-3-one;N-[4-(2-chlorophenyl)-6-piperazin-1-ylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine;N-[4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine
SMILESCC(C)(C)Oc1ccc(-c2cc(N3CCCCC3)nc(Nc3n[nH]c4ccccc34)n2)c(Cl)c1.FC(F)(F)c1ccccc1-c1cc(N2CCCCC2)nc(Nc2n[nH]c3ccccc23)n1.Fc1ccc2[nH]nc(Nc3nc(-c4ccccc4Cl)cc(N4CCNCC4)n3)c2c1.O=C1CCCN(c2cc(-c3ccccc3Cl)nc(Nc3n[nH]c4ccc(F)cc34)n2)C1
InChIInChI=1S/C26H29ClN6O.C23H21F3N6.C22H18ClFN6O.C21H19ClFN7/c1-26(2,3)34-17-11-12-18(20(27)15-17)22-16-23(33-13-7-4-8-14-33)29-25(28-22)30-24-19-9-5-6-10-21(19)31-32-24;24-23(25,26)17-10-4-2-8-15(17)19-14-20(32-12-6-1-7-13-32)28-22(27-19)29-21-16-9-3-5-11-18(16)30-31-21;23-17-6-2-1-5-15(17)19-11-20(30-9-3-4-14(31)12-30)26-22(25-19)27-21-16-10-13(24)7-8-18(16)28-29-21;22-16-4-2-1-3-14(16)18-12-19(30-9-7-24-8-10-30)26-21(25-18)27-20-15-11-13(23)5-6-17(15)28-29-20/h5-6,9-12,15-16H,4,7-8,13-14H2,1-3H3,(H2,28,29,30,31,32);2-5,8-11,14H,1,6-7,12-13H2,(H2,27,28,29,30,31);1-2,5-8,10-11H,3-4,9,12H2,(H2,25,26,27,28,29);1-6,11-12,24H,7-10H2,(H2,25,26,27,28,29)
InChIKeyMGHITEURKPGPHL-UHFFFAOYSA-N
MW1776.23 g/mol
LogP21.05
Rot. Bonds17

About N-[4-[2-chloro-4-[(2-methylpropan-2-yl)oxy]phenyl]-6-piperidin-1-ylpyrimidin-2-yl]-1H-indazol-3-amine;1-[6-(2-chlorophenyl)-2-[(5-fluoro-1H-indazol-3-yl)amino]pyrimidin-4-yl]piperidin-3-one;N-[4-(2-chlorophenyl)-6-piperazin-1-ylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine;N-[4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine

N-[4-[2-chloro-4-[(2-methylpropan-2-yl)oxy]phenyl]-6-piperidin-1-ylpyrimidin-2-yl]-1H-indazol-3-amine;1-[6-(2-chlorophenyl)-2-[(5-fluoro-1H-indazol-3-yl)amino]pyrimidin-4-yl]piperidin-3-one;N-[4-(2-chlorophenyl)-6-piperazin-1-ylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine;N-[4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine (PubChem CID 159558467) has the molecular formula C92H87Cl3F5N25O2 and a molecular weight of 1776.23 g/mol. Its IUPAC name is N-[4-[2-chloro-4-[(2-methylpropan-2-yl)oxy]phenyl]-6-piperidin-1-ylpyrimidin-2-yl]-1H-indazol-3-amine;1-[6-(2-chlorophenyl)-2-[(5-fluoro-1H-indazol-3-yl)amino]pyrimidin-4-yl]piperidin-3-one;N-[4-(2-chlorophenyl)-6-piperazin-1-ylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine;N-[4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine.

Molecular Properties

Compound NameN-[4-[2-chloro-4-[(2-methylpropan-2-yl)oxy]phenyl]-6-piperidin-1-ylpyrimidin-2-yl]-1H-indazol-3-amine;1-[6-(2-chlorophenyl)-2-[(5-fluoro-1H-indazol-3-yl)amino]pyrimidin-4-yl]piperidin-3-one;N-[4-(2-chlorophenyl)-6-piperazin-1-ylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine;N-[4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine
PubChem CID159558467
Molecular FormulaC92H87Cl3F5N25O2
Molecular Weight1776.23 g/mol
Exact Mass1773.65
IUPAC NameN-[4-[2-chloro-4-[(2-methylpropan-2-yl)oxy]phenyl]-6-piperidin-1-ylpyrimidin-2-yl]-1H-indazol-3-amine;1-[6-(2-chlorophenyl)-2-[(5-fluoro-1H-indazol-3-yl)amino]pyrimidin-4-yl]piperidin-3-one;N-[4-(2-chlorophenyl)-6-piperazin-1-ylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine;N-[4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine
SMILESCC(C)(C)Oc1ccc(-c2cc(N3CCCCC3)nc(Nc3n[nH]c4ccccc34)n2)c(Cl)c1.FC(F)(F)c1ccccc1-c1cc(N2CCCCC2)nc(Nc2n[nH]c3ccccc23)n1.Fc1ccc2[nH]nc(Nc3nc(-c4ccccc4Cl)cc(N4CCNCC4)n3)c2c1.O=C1CCCN(c2cc(-c3ccccc3Cl)nc(Nc3n[nH]c4ccc(F)cc34)n2)C1
InChIInChI=1S/C26H29ClN6O.C23H21F3N6.C22H18ClFN6O.C21H19ClFN7/c1-26(2,3)34-17-11-12-18(20(27)15-17)22-16-23(33-13-7-4-8-14-33)29-25(28-22)30-24-19-9-5-6-10-21(19)31-32-24;24-23(25,26)17-10-4-2-8-15(17)19-14-20(32-12-6-1-7-13-32)28-22(27-19)29-21-16-9-3-5-11-18(16)30-31-21;23-17-6-2-1-5-15(17)19-11-20(30-9-3-4-14(31)12-30)26-22(25-19)27-21-16-10-13(24)7-8-18(16)28-29-21;22-16-4-2-1-3-14(16)18-12-19(30-9-7-24-8-10-30)26-21(25-18)27-20-15-11-13(23)5-6-17(15)28-29-20/h5-6,9-12,15-16H,4,7-8,13-14H2,1-3H3,(H2,28,29,30,31,32);2-5,8-11,14H,1,6-7,12-13H2,(H2,27,28,29,30,31);1-2,5-8,10-11H,3-4,9,12H2,(H2,25,26,27,28,29);1-6,11-12,24H,7-10H2,(H2,25,26,27,28,29)
InChIKeyMGHITEURKPGPHL-UHFFFAOYSA-N
XLogP21.05
TPSA317.25 Ų
H-Bond Donors9
H-Bond Acceptors23
Rotatable Bonds17
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001776.23
LogP ≤ 521.05
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1023

Analyze N-[4-[2-chloro-4-[(2-methylpropan-2-yl)oxy]phenyl]-6-piperidin-1-ylpyrimidin-2-yl]-1H-indazol-3-amine;1-[6-(2-chlorophenyl)-2-[(5-fluoro-1H-indazol-3-yl)amino]pyrimidin-4-yl]piperidin-3-one;N-[4-(2-chlorophenyl)-6-piperazin-1-ylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine;N-[4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine with MolForge

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Related Compounds

N-[4-(2-aminoethoxy)-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-indazol-3-amine;4-N-(2-aminoethyl)-2-N-(1H-indazol-3-yl)-6-[2-(trifluoromethyl)phenyl]pyridine-2,4-diamine;N-[6-(2-chlorophenyl)-4-pyridin-4-yl-2-pyridinyl]-1H-indazol-3-amine;N-[4-piperazin-1-yl-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-indazol-3-amine
CID 159662450

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-chloro-4-[(2-methylpropan-2-yl)oxy]phenyl]-6-piperidin-1-ylpyrimidin-2-yl]-1H-indazol-3-amine;1-[6-(2-chlorophenyl)-2-[(5-fluoro-1H-indazol-3-yl)amino]pyrimidin-4-yl]piperidin-3-one;N-[4-(2-chlorophenyl)-6-piperazin-1-ylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine;N-[4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine?
The IUPAC name of N-[4-[2-chloro-4-[(2-methylpropan-2-yl)oxy]phenyl]-6-piperidin-1-ylpyrimidin-2-yl]-1H-indazol-3-amine;1-[6-(2-chlorophenyl)-2-[(5-fluoro-1H-indazol-3-yl)amino]pyrimidin-4-yl]piperidin-3-one;N-[4-(2-chlorophenyl)-6-piperazin-1-ylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine;N-[4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine (CID 159558467) is N-[4-[2-chloro-4-[(2-methylpropan-2-yl)oxy]phenyl]-6-piperidin-1-ylpyrimidin-2-yl]-1H-indazol-3-amine;1-[6-(2-chlorophenyl)-2-[(5-fluoro-1H-indazol-3-yl)amino]pyrimidin-4-yl]piperidin-3-one;N-[4-(2-chlorophenyl)-6-piperazin-1-ylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine;N-[4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine.
What is the SMILES notation for N-[4-[2-chloro-4-[(2-methylpropan-2-yl)oxy]phenyl]-6-piperidin-1-ylpyrimidin-2-yl]-1H-indazol-3-amine;1-[6-(2-chlorophenyl)-2-[(5-fluoro-1H-indazol-3-yl)amino]pyrimidin-4-yl]piperidin-3-one;N-[4-(2-chlorophenyl)-6-piperazin-1-ylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine;N-[4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine?
The canonical SMILES for N-[4-[2-chloro-4-[(2-methylpropan-2-yl)oxy]phenyl]-6-piperidin-1-ylpyrimidin-2-yl]-1H-indazol-3-amine;1-[6-(2-chlorophenyl)-2-[(5-fluoro-1H-indazol-3-yl)amino]pyrimidin-4-yl]piperidin-3-one;N-[4-(2-chlorophenyl)-6-piperazin-1-ylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine;N-[4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine is CC(C)(C)Oc1ccc(-c2cc(N3CCCCC3)nc(Nc3n[nH]c4ccccc34)n2)c(Cl)c1.FC(F)(F)c1ccccc1-c1cc(N2CCCCC2)nc(Nc2n[nH]c3ccccc23)n1.Fc1ccc2[nH]nc(Nc3nc(-c4ccccc4Cl)cc(N4CCNCC4)n3)c2c1.O=C1CCCN(c2cc(-c3ccccc3Cl)nc(Nc3n[nH]c4ccc(F)cc34)n2)C1.
What is the InChIKey of N-[4-[2-chloro-4-[(2-methylpropan-2-yl)oxy]phenyl]-6-piperidin-1-ylpyrimidin-2-yl]-1H-indazol-3-amine;1-[6-(2-chlorophenyl)-2-[(5-fluoro-1H-indazol-3-yl)amino]pyrimidin-4-yl]piperidin-3-one;N-[4-(2-chlorophenyl)-6-piperazin-1-ylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine;N-[4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine?
The InChIKey is MGHITEURKPGPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN6O.C23H21F3N6.C22H18ClFN6O.C21H19ClFN7/c1-26(2,3)34-17-11-12-18(20(27)15-17)22-16-23(33-13-7-4-8-14-33)29-25(28-22)30-24-19-9-5-6-10-21(19)31-32-24;24-23(25,26)17-10-4-2-8-15(17)19-14-20(32-12-6-1-7-13-32)28-22(27-19)29-21-16-9-3-5-11-18(16)30-31-21;23-17-6-2-1-5-15(17)19-11-20(30-9-3-4-14(31)12-30)26-22(25-19)27-21-16-10-13(24)7-8-18(16)28-29-21;22-16-4-2-1-3-14(16)18-12-19(30-9-7-24-8-10-30)26-21(25-18)27-20-15-11-13(23)5-6-17(15)28-29-20/h5-6,9-12,15-16H,4,7-8,13-14H2,1-3H3,(H2,28,29,30,31,32);2-5,8-11,14H,1,6-7,12-13H2,(H2,27,28,29,30,31);1-2,5-8,10-11H,3-4,9,12H2,(H2,25,26,27,28,29);1-6,11-12,24H,7-10H2,(H2,25,26,27,28,29).
What are the key properties of N-[4-[2-chloro-4-[(2-methylpropan-2-yl)oxy]phenyl]-6-piperidin-1-ylpyrimidin-2-yl]-1H-indazol-3-amine;1-[6-(2-chlorophenyl)-2-[(5-fluoro-1H-indazol-3-yl)amino]pyrimidin-4-yl]piperidin-3-one;N-[4-(2-chlorophenyl)-6-piperazin-1-ylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine;N-[4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine?
N-[4-[2-chloro-4-[(2-methylpropan-2-yl)oxy]phenyl]-6-piperidin-1-ylpyrimidin-2-yl]-1H-indazol-3-amine;1-[6-(2-chlorophenyl)-2-[(5-fluoro-1H-indazol-3-yl)amino]pyrimidin-4-yl]piperidin-3-one;N-[4-(2-chlorophenyl)-6-piperazin-1-ylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine;N-[4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine has a molecular weight of 1776.23 g/mol, XLogP of 21.05, 17 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-chloro-4-[(2-methylpropan-2-yl)oxy]phenyl]-6-piperidin-1-ylpyrimidin-2-yl]-1H-indazol-3-amine;1-[6-(2-chlorophenyl)-2-[(5-fluoro-1H-indazol-3-yl)amino]pyrimidin-4-yl]piperidin-3-one;N-[4-(2-chlorophenyl)-6-piperazin-1-ylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine;N-[4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine is sourced from PubChem (CID 159558467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).