N-[1-[4-[2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-cyclopropyl-1-[4-[2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-4-yl]-5-methylpiperazin-2-yl]pyrazol-3-yl]amino]pyrimidin-4-yl]-6-methylpiperazin-2-yl]-5-methylpyrazol-3-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-fluoropiperidin-1-yl)pyrimidin-4-amine

C70H73ClF3N23O3 — CID 163444827

IUPACN-[1-[4-[2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-cyclopropyl-1-[4-[2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-4-yl]-5-methylpiperazin-2-yl]pyrazol-3-yl]amino]pyrimidin-4-yl]-6-methylpiperazin-2-yl]-5-methylpyrazol-3-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-fluoropiperidin-1-yl)pyrimidin-4-amine
SMILESC/C=C/c1cc(Nc2cc(N3CC(n4nc(Nc5cc(N6CC(C)NC(n7nc(Nc8cc(N9CCC(F)CC9)nc(Oc9ccc%10[nH]c(C)cc%10c9F)n8)cc7C)C6)nc(Oc6ccc7[nH]c(C)cc7c6Cl)n5)cc4C4CC4)NCC3C)nc(Oc3ccc4[nH]c(C)cc4c3F)n2)n[nH]1
InChIInChI=1S/C70H73ClF3N23O3/c1-8-9-43-26-57(90-89-43)80-56-30-62(88-70(85-56)100-53-17-14-49-46(67(53)74)24-37(4)78-49)95-34-63(75-31-40(95)7)97-50(41-10-11-41)27-59(92-97)82-55-29-61(87-68(83-55)98-51-15-12-47-44(65(51)71)22-35(2)76-47)94-32-38(5)79-64(33-94)96-39(6)25-58(91-96)81-54-28-60(93-20-18-42(72)19-21-93)86-69(84-54)99-52-16-13-48-45(66(52)73)23-36(3)77-48/h8-9,12-17,22-30,38,40-42,63-64,75-79H,10-11,18-21,31-34H2,1-7H3,(H,81,84,86,91)(H,82,83,87,92)(H2,80,85,88,89,90)/b9-8+
InChIKeyBBPVOUNRPLVZNL-CMDGGOBGSA-N
MW1376.96 g/mol
LogP14.23
Rot. Bonds19

About N-[1-[4-[2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-cyclopropyl-1-[4-[2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-4-yl]-5-methylpiperazin-2-yl]pyrazol-3-yl]amino]pyrimidin-4-yl]-6-methylpiperazin-2-yl]-5-methylpyrazol-3-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-fluoropiperidin-1-yl)pyrimidin-4-amine

N-[1-[4-[2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-cyclopropyl-1-[4-[2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-4-yl]-5-methylpiperazin-2-yl]pyrazol-3-yl]amino]pyrimidin-4-yl]-6-methylpiperazin-2-yl]-5-methylpyrazol-3-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-fluoropiperidin-1-yl)pyrimidin-4-amine (PubChem CID 163444827) has the molecular formula C70H73ClF3N23O3 and a molecular weight of 1376.96 g/mol. Its IUPAC name is N-[1-[4-[2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-cyclopropyl-1-[4-[2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-4-yl]-5-methylpiperazin-2-yl]pyrazol-3-yl]amino]pyrimidin-4-yl]-6-methylpiperazin-2-yl]-5-methylpyrazol-3-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-fluoropiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[4-[2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-cyclopropyl-1-[4-[2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-4-yl]-5-methylpiperazin-2-yl]pyrazol-3-yl]amino]pyrimidin-4-yl]-6-methylpiperazin-2-yl]-5-methylpyrazol-3-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-fluoropiperidin-1-yl)pyrimidin-4-amine
PubChem CID163444827
Molecular FormulaC70H73ClF3N23O3
Molecular Weight1376.96 g/mol
Exact Mass1375.59
IUPAC NameN-[1-[4-[2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-cyclopropyl-1-[4-[2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-4-yl]-5-methylpiperazin-2-yl]pyrazol-3-yl]amino]pyrimidin-4-yl]-6-methylpiperazin-2-yl]-5-methylpyrazol-3-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-fluoropiperidin-1-yl)pyrimidin-4-amine
SMILESC/C=C/c1cc(Nc2cc(N3CC(n4nc(Nc5cc(N6CC(C)NC(n7nc(Nc8cc(N9CCC(F)CC9)nc(Oc9ccc%10[nH]c(C)cc%10c9F)n8)cc7C)C6)nc(Oc6ccc7[nH]c(C)cc7c6Cl)n5)cc4C4CC4)NCC3C)nc(Oc3ccc4[nH]c(C)cc4c3F)n2)n[nH]1
InChIInChI=1S/C70H73ClF3N23O3/c1-8-9-43-26-57(90-89-43)80-56-30-62(88-70(85-56)100-53-17-14-49-46(67(53)74)24-37(4)78-49)95-34-63(75-31-40(95)7)97-50(41-10-11-41)27-59(92-97)82-55-29-61(87-68(83-55)98-51-15-12-47-44(65(51)71)22-35(2)76-47)94-32-38(5)79-64(33-94)96-39(6)25-58(91-96)81-54-28-60(93-20-18-42(72)19-21-93)86-69(84-54)99-52-16-13-48-45(66(52)73)23-36(3)77-48/h8-9,12-17,22-30,38,40-42,63-64,75-79H,10-11,18-21,31-34H2,1-7H3,(H,81,84,86,91)(H,82,83,87,92)(H2,80,85,88,89,90)/b9-8+
InChIKeyBBPVOUNRPLVZNL-CMDGGOBGSA-N
XLogP14.23
TPSA286.59 Ų
H-Bond Donors9
H-Bond Acceptors22
Rotatable Bonds19
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001376.96
LogP ≤ 514.23
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1022

Analyze N-[1-[4-[2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-cyclopropyl-1-[4-[2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-4-yl]-5-methylpiperazin-2-yl]pyrazol-3-yl]amino]pyrimidin-4-yl]-6-methylpiperazin-2-yl]-5-methylpyrazol-3-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-fluoropiperidin-1-yl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine
CID 90147248
2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[4-(2-fluoroethyl)piperazin-1-yl]pyrimidin-4-amine
CID 90147433
2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine
CID 90147458
2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-N-(5-methyl-1H-pyrazol-3-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine
CID 90147481
2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-6-[4-(2-fluoroethyl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 90431558
2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-N-(5-methyl-1H-pyrazol-3-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine
CID 90431559
2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-6-[4-(2-fluoroethyl)piperazin-1-yl]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine
CID 118446565
2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine
CID 118446592
2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine
CID 118446874
2-[[2-[2-[2-[[2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-4-yl]-methylamino]ethyl-methylamino]ethyl]-4-fluoro-1H-indol-5-yl]oxy]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,6-diamine
CID 123188187
2-[[2-[[[4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]morpholin-2-yl]methylamino]methyl]-4-fluoro-1H-indol-5-yl]oxy]-6-(4-methylpiperazin-1-yl)-N-[5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine
CID 123772510
2-[1-[2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(Z)-3-[4-[2-[(4,6-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-4-yl]morpholin-2-yl]prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-4-yl]piperidin-4-yl]ethanol
CID 126732598

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-cyclopropyl-1-[4-[2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-4-yl]-5-methylpiperazin-2-yl]pyrazol-3-yl]amino]pyrimidin-4-yl]-6-methylpiperazin-2-yl]-5-methylpyrazol-3-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-fluoropiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-[1-[4-[2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-cyclopropyl-1-[4-[2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-4-yl]-5-methylpiperazin-2-yl]pyrazol-3-yl]amino]pyrimidin-4-yl]-6-methylpiperazin-2-yl]-5-methylpyrazol-3-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-fluoropiperidin-1-yl)pyrimidin-4-amine (CID 163444827) is N-[1-[4-[2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-cyclopropyl-1-[4-[2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-4-yl]-5-methylpiperazin-2-yl]pyrazol-3-yl]amino]pyrimidin-4-yl]-6-methylpiperazin-2-yl]-5-methylpyrazol-3-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-fluoropiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[1-[4-[2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-cyclopropyl-1-[4-[2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-4-yl]-5-methylpiperazin-2-yl]pyrazol-3-yl]amino]pyrimidin-4-yl]-6-methylpiperazin-2-yl]-5-methylpyrazol-3-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-fluoropiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-[1-[4-[2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-cyclopropyl-1-[4-[2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-4-yl]-5-methylpiperazin-2-yl]pyrazol-3-yl]amino]pyrimidin-4-yl]-6-methylpiperazin-2-yl]-5-methylpyrazol-3-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-fluoropiperidin-1-yl)pyrimidin-4-amine is C/C=C/c1cc(Nc2cc(N3CC(n4nc(Nc5cc(N6CC(C)NC(n7nc(Nc8cc(N9CCC(F)CC9)nc(Oc9ccc%10[nH]c(C)cc%10c9F)n8)cc7C)C6)nc(Oc6ccc7[nH]c(C)cc7c6Cl)n5)cc4C4CC4)NCC3C)nc(Oc3ccc4[nH]c(C)cc4c3F)n2)n[nH]1.
What is the InChIKey of N-[1-[4-[2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-cyclopropyl-1-[4-[2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-4-yl]-5-methylpiperazin-2-yl]pyrazol-3-yl]amino]pyrimidin-4-yl]-6-methylpiperazin-2-yl]-5-methylpyrazol-3-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-fluoropiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is BBPVOUNRPLVZNL-CMDGGOBGSA-N. The full InChI is InChI=1S/C70H73ClF3N23O3/c1-8-9-43-26-57(90-89-43)80-56-30-62(88-70(85-56)100-53-17-14-49-46(67(53)74)24-37(4)78-49)95-34-63(75-31-40(95)7)97-50(41-10-11-41)27-59(92-97)82-55-29-61(87-68(83-55)98-51-15-12-47-44(65(51)71)22-35(2)76-47)94-32-38(5)79-64(33-94)96-39(6)25-58(91-96)81-54-28-60(93-20-18-42(72)19-21-93)86-69(84-54)99-52-16-13-48-45(66(52)73)23-36(3)77-48/h8-9,12-17,22-30,38,40-42,63-64,75-79H,10-11,18-21,31-34H2,1-7H3,(H,81,84,86,91)(H,82,83,87,92)(H2,80,85,88,89,90)/b9-8+.
What are the key properties of N-[1-[4-[2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-cyclopropyl-1-[4-[2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-4-yl]-5-methylpiperazin-2-yl]pyrazol-3-yl]amino]pyrimidin-4-yl]-6-methylpiperazin-2-yl]-5-methylpyrazol-3-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-fluoropiperidin-1-yl)pyrimidin-4-amine?
N-[1-[4-[2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-cyclopropyl-1-[4-[2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-4-yl]-5-methylpiperazin-2-yl]pyrazol-3-yl]amino]pyrimidin-4-yl]-6-methylpiperazin-2-yl]-5-methylpyrazol-3-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-fluoropiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 1376.96 g/mol, XLogP of 14.23, 19 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-cyclopropyl-1-[4-[2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-4-yl]-5-methylpiperazin-2-yl]pyrazol-3-yl]amino]pyrimidin-4-yl]-6-methylpiperazin-2-yl]-5-methylpyrazol-3-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-fluoropiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 163444827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).