ethyl 7-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate;ethyl 7-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate;[7-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]methanol

C87H97ClN18O14S3 — CID 158178773

IUPACethyl 7-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate;ethyl 7-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate;[7-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]methanol
SMILESCCOC(=O)c1[nH]nc2c1Cc1cc(OC(C)C)c(Nc3ncc(C)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc1-2.CCOC(=O)c1[nH]nc2c1Cc1cc(OC(C)C)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc1-2.Cc1cnc(Nc2cc3c(cc2OC(C)C)Cc2c-3n[nH]c2CO)nc1Nc1ccccc1S(=O)(=O)C(C)C
InChIInChI=1S/C30H34N6O5S.C29H31ClN6O5S.C28H32N6O4S/c1-7-40-29(37)27-21-12-19-13-24(41-16(2)3)23(14-20(19)26(21)35-36-27)33-30-31-15-18(6)28(34-30)32-22-10-8-9-11-25(22)42(38,39)17(4)5;1-6-40-28(37)26-19-11-17-12-23(41-15(2)3)22(13-18(17)25(19)35-36-26)33-29-31-14-20(30)27(34-29)32-21-9-7-8-10-24(21)42(38,39)16(4)5;1-15(2)38-24-11-18-10-20-23(14-35)33-34-26(20)19(18)12-22(24)31-28-29-13-17(5)27(32-28)30-21-8-6-7-9-25(21)39(36,37)16(3)4/h8-11,13-17H,7,12H2,1-6H3,(H,35,36)(H2,31,32,33,34);7-10,12-16H,6,11H2,1-5H3,(H,35,36)(H2,31,32,33,34);6-9,11-13,15-16,35H,10,14H2,1-5H3,(H,33,34)(H2,29,30,31,32)
InChIKeyFYHZUTJIJRFRDN-UHFFFAOYSA-N
MW1750.50 g/mol
LogP16.80
Rot. Bonds29

About ethyl 7-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate;ethyl 7-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate;[7-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]methanol

ethyl 7-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate;ethyl 7-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate;[7-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]methanol (PubChem CID 158178773) has the molecular formula C87H97ClN18O14S3 and a molecular weight of 1750.50 g/mol. Its IUPAC name is ethyl 7-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate;ethyl 7-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate;[7-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]methanol.

Molecular Properties

Compound Nameethyl 7-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate;ethyl 7-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate;[7-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]methanol
PubChem CID158178773
Molecular FormulaC87H97ClN18O14S3
Molecular Weight1750.50 g/mol
Exact Mass1748.63
IUPAC Nameethyl 7-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate;ethyl 7-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate;[7-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]methanol
SMILESCCOC(=O)c1[nH]nc2c1Cc1cc(OC(C)C)c(Nc3ncc(C)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc1-2.CCOC(=O)c1[nH]nc2c1Cc1cc(OC(C)C)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc1-2.Cc1cnc(Nc2cc3c(cc2OC(C)C)Cc2c-3n[nH]c2CO)nc1Nc1ccccc1S(=O)(=O)C(C)C
InChIInChI=1S/C30H34N6O5S.C29H31ClN6O5S.C28H32N6O4S/c1-7-40-29(37)27-21-12-19-13-24(41-16(2)3)23(14-20(19)26(21)35-36-27)33-30-31-15-18(6)28(34-30)32-22-10-8-9-11-25(22)42(38,39)17(4)5;1-6-40-28(37)26-19-11-17-12-23(41-15(2)3)22(13-18(17)25(19)35-36-26)33-29-31-14-20(30)27(34-29)32-21-9-7-8-10-24(21)42(38,39)16(4)5;1-15(2)38-24-11-18-10-20-23(14-35)33-34-26(20)19(18)12-22(24)31-28-29-13-17(5)27(32-28)30-21-8-6-7-9-25(21)39(36,37)16(3)4/h8-11,13-17H,7,12H2,1-6H3,(H,35,36)(H2,31,32,33,34);7-10,12-16H,6,11H2,1-5H3,(H,35,36)(H2,31,32,33,34);6-9,11-13,15-16,35H,10,14H2,1-5H3,(H,33,34)(H2,29,30,31,32)
InChIKeyFYHZUTJIJRFRDN-UHFFFAOYSA-N
XLogP16.80
TPSA438.50 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds29
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001750.50
LogP ≤ 516.80
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

Analyze ethyl 7-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate;ethyl 7-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate;[7-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]methanol with MolForge

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Related Compounds

ethyl 5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-oxo-6-propan-2-yloxy-1H-isoindole-2-carboxylate
CID 59764426
5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N,2-dimethyl-4-propan-2-yloxybenzamide
CID 25160678
2-[5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-4-propan-2-yloxyphenyl]acetaldehyde
CID 87673119
5-chloro-2-N-(2-ethyl-1,1-dimethyl-7-propan-2-yloxy-3,4-dihydroisoquinolin-6-yl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 129048560
5-chloro-2-N-[5-methyl-2-propan-2-yloxy-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 130443433
2-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-propan-2-yloxyphenyl]-2-methylpropane-1,3-diol
CID 59764380
2-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-propan-2-yloxyphenyl]-2-methylpropan-1-ol
CID 59764398
2-(azetidin-3-ylmethyl)-6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-5-propan-2-yloxy-3H-isoindol-1-one
CID 59764515
5-chloro-2-N-[4-[(2S,6S)-2,6-dimethyl-1,2,3,6-tetrahydropyridin-4-yl]-5-methyl-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 138678723
5-chloro-2-N-[4-[(2S,6S)-2,6-diethyl-1,2,3,6-tetrahydropyridin-4-yl]-5-methyl-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 138678675
6-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]-6-oxohexanamide
CID 166735114
6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyisoindol-1-ol
CID 91434764

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate;ethyl 7-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate;[7-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]methanol?
The IUPAC name of ethyl 7-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate;ethyl 7-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate;[7-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]methanol (CID 158178773) is ethyl 7-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate;ethyl 7-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate;[7-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]methanol.
What is the SMILES notation for ethyl 7-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate;ethyl 7-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate;[7-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]methanol?
The canonical SMILES for ethyl 7-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate;ethyl 7-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate;[7-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]methanol is CCOC(=O)c1[nH]nc2c1Cc1cc(OC(C)C)c(Nc3ncc(C)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc1-2.CCOC(=O)c1[nH]nc2c1Cc1cc(OC(C)C)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc1-2.Cc1cnc(Nc2cc3c(cc2OC(C)C)Cc2c-3n[nH]c2CO)nc1Nc1ccccc1S(=O)(=O)C(C)C.
What is the InChIKey of ethyl 7-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate;ethyl 7-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate;[7-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]methanol?
The InChIKey is FYHZUTJIJRFRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O5S.C29H31ClN6O5S.C28H32N6O4S/c1-7-40-29(37)27-21-12-19-13-24(41-16(2)3)23(14-20(19)26(21)35-36-27)33-30-31-15-18(6)28(34-30)32-22-10-8-9-11-25(22)42(38,39)17(4)5;1-6-40-28(37)26-19-11-17-12-23(41-15(2)3)22(13-18(17)25(19)35-36-26)33-29-31-14-20(30)27(34-29)32-21-9-7-8-10-24(21)42(38,39)16(4)5;1-15(2)38-24-11-18-10-20-23(14-35)33-34-26(20)19(18)12-22(24)31-28-29-13-17(5)27(32-28)30-21-8-6-7-9-25(21)39(36,37)16(3)4/h8-11,13-17H,7,12H2,1-6H3,(H,35,36)(H2,31,32,33,34);7-10,12-16H,6,11H2,1-5H3,(H,35,36)(H2,31,32,33,34);6-9,11-13,15-16,35H,10,14H2,1-5H3,(H,33,34)(H2,29,30,31,32).
What are the key properties of ethyl 7-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate;ethyl 7-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate;[7-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]methanol?
ethyl 7-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate;ethyl 7-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate;[7-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]methanol has a molecular weight of 1750.50 g/mol, XLogP of 16.80, 29 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate;ethyl 7-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate;[7-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-6-propan-2-yloxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]methanol is sourced from PubChem (CID 158178773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).