2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidin-4-amine

C24H28F2N8O — CID 118446727

IUPAC2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCc1cc2c(F)c(Oc3nc(Nc4cc(C(C)C)[nH]n4)cc(N4CCN(C)CC4)n3)cc(F)c2[nH]1
InChIInChI=1S/C24H28F2N8O/c1-13(2)17-11-20(32-31-17)28-19-12-21(34-7-5-33(4)6-8-34)30-24(29-19)35-18-10-16(25)23-15(22(18)26)9-14(3)27-23/h9-13,27H,5-8H2,1-4H3,(H2,28,29,30,31,32)
InChIKeyGLWLZMBCUNUCAE-UHFFFAOYSA-N
MW482.54 g/mol
LogP4.68
Rot. Bonds6

About 2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidin-4-amine

2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidin-4-amine (PubChem CID 118446727) has the molecular formula C24H28F2N8O and a molecular weight of 482.54 g/mol. Its IUPAC name is 2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidin-4-amine
PubChem CID118446727
Molecular FormulaC24H28F2N8O
Molecular Weight482.54 g/mol
Exact Mass482.24
IUPAC Name2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCc1cc2c(F)c(Oc3nc(Nc4cc(C(C)C)[nH]n4)cc(N4CCN(C)CC4)n3)cc(F)c2[nH]1
InChIInChI=1S/C24H28F2N8O/c1-13(2)17-11-20(32-31-17)28-19-12-21(34-7-5-33(4)6-8-34)30-24(29-19)35-18-10-16(25)23-15(22(18)26)9-14(3)27-23/h9-13,27H,5-8H2,1-4H3,(H2,28,29,30,31,32)
InChIKeyGLWLZMBCUNUCAE-UHFFFAOYSA-N
XLogP4.68
TPSA97.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

[3-[[2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1H-pyrazol-5-yl]methanol
CID 118446810
2-[(7-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 90147349
5-tert-butyl-N-[2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-3-amine
CID 118446820
2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-(5-methyl-1H-pyrazol-3-yl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 90147234
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[4-(2-fluoroethyl)piperazin-1-yl]pyrimidin-4-amine
CID 118446768
2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-piperazin-1-yl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine
CID 78427559
[1-[2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-4-yl]piperidin-4-yl]methanol
CID 118446826
4-[2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]piperazin-2-one
CID 118446836
4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]piperazin-2-ol
CID 123980031
4-[(4,6-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidin-2-amine
CID 90431622
6-[2-(aminomethyl)morpholin-4-yl]-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine
CID 118446776
2-[(6-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine
CID 118446509

Frequently Asked Questions

What is the IUPAC name of 2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidin-4-amine (CID 118446727) is 2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidin-4-amine is Cc1cc2c(F)c(Oc3nc(Nc4cc(C(C)C)[nH]n4)cc(N4CCN(C)CC4)n3)cc(F)c2[nH]1.
What is the InChIKey of 2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is GLWLZMBCUNUCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N8O/c1-13(2)17-11-20(32-31-17)28-19-12-21(34-7-5-33(4)6-8-34)30-24(29-19)35-18-10-16(25)23-15(22(18)26)9-14(3)27-23/h9-13,27H,5-8H2,1-4H3,(H2,28,29,30,31,32).
What are the key properties of 2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidin-4-amine?
2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 482.54 g/mol, XLogP of 4.68, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 118446727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).