4-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbonitrile

C24H22F2N8O — CID 122520735

IUPAC4-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbonitrile
SMILESCc1cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCNCC5)cn4)c3C#N)cc(F)c2n1C
InChIInChI=1S/C24H22F2N8O/c1-14-9-16-21(26)19(10-18(25)22(16)33(14)2)35-24-17(11-27)23(30-13-31-24)32-20-4-3-15(12-29-20)34-7-5-28-6-8-34/h3-4,9-10,12-13,28H,5-8H2,1-2H3,(H,29,30,31,32)
InChIKeyKWECFKHJRDZNAK-UHFFFAOYSA-N
MW476.49 g/mol
LogP3.77
Rot. Bonds5

About 4-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbonitrile

4-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbonitrile (PubChem CID 122520735) has the molecular formula C24H22F2N8O and a molecular weight of 476.49 g/mol. Its IUPAC name is 4-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbonitrile
PubChem CID122520735
Molecular FormulaC24H22F2N8O
Molecular Weight476.49 g/mol
Exact Mass476.19
IUPAC Name4-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbonitrile
SMILESCc1cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCNCC5)cn4)c3C#N)cc(F)c2n1C
InChIInChI=1S/C24H22F2N8O/c1-14-9-16-21(26)19(10-18(25)22(16)33(14)2)35-24-17(11-27)23(30-13-31-24)32-20-4-3-15(12-29-20)34-7-5-28-6-8-34/h3-4,9-10,12-13,28H,5-8H2,1-2H3,(H,29,30,31,32)
InChIKeyKWECFKHJRDZNAK-UHFFFAOYSA-N
XLogP3.77
TPSA103.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.49
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

4-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbonitrile
CID 134576004
6-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine
CID 134573380
1-[4,7-difluoro-5-[5-isocyano-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]oxy-2-methylindol-1-yl]propan-1-one
CID 140890821
4-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-6-(4-fluoro-2-methyl-1-propan-2-ylindol-5-yl)oxypyrimidine-5-carbonitrile
CID 134576032
N-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]formamide
CID 134573327
N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoro-6-(4-fluoro-2-methyl-1-propan-2-ylindol-5-yl)oxypyrimidin-4-amine;5-fluoro-6-(4-fluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-fluoro-6-(4-fluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine
CID 158549998
6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-5-methoxy-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine
CID 122520819
5-bromo-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine
CID 138613864
6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-methylpyrimidin-4-amine
CID 134573367
cyclopropyl-[4-fluoro-5-[5-fluoro-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]oxy-2-methylindol-1-yl]methanone;cyclopropyl-[4-fluoro-5-[5-fluoro-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]oxy-2-methylindol-1-yl]methanone;1-[4-fluoro-5-[5-fluoro-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]oxy-2-methylindol-1-yl]propan-1-one
CID 160901553
4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[4-(piperazin-1-ylmethyl)anilino]pyrimidine-5-carbonitrile
CID 122520944
4-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidine-5-carbonitrile
CID 134575973

Frequently Asked Questions

What is the IUPAC name of 4-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbonitrile?
The IUPAC name of 4-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbonitrile (CID 122520735) is 4-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbonitrile is Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCNCC5)cn4)c3C#N)cc(F)c2n1C.
What is the InChIKey of 4-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbonitrile?
The InChIKey is KWECFKHJRDZNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N8O/c1-14-9-16-21(26)19(10-18(25)22(16)33(14)2)35-24-17(11-27)23(30-13-31-24)32-20-4-3-15(12-29-20)34-7-5-28-6-8-34/h3-4,9-10,12-13,28H,5-8H2,1-2H3,(H,29,30,31,32).
What are the key properties of 4-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbonitrile?
4-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbonitrile has a molecular weight of 476.49 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 122520735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).