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

C24H29FN8O — CID 90147349

IUPAC2-[(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
SMILESCc1cc2cc(Oc3nc(Nc4cc(C(C)C)[nH]n4)cc(N4CCN(C)CC4)n3)cc(F)c2[nH]1
InChIInChI=1S/C24H29FN8O/c1-14(2)19-12-21(31-30-19)27-20-13-22(33-7-5-32(4)6-8-33)29-24(28-20)34-17-10-16-9-15(3)26-23(16)18(25)11-17/h9-14,26H,5-8H2,1-4H3,(H2,27,28,29,30,31)
InChIKeyZAZNKEGIOHSMOZ-UHFFFAOYSA-N
MW464.55 g/mol
LogP4.54
Rot. Bonds6

About 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

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 (PubChem CID 90147349) has the molecular formula C24H29FN8O and a molecular weight of 464.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID90147349
Molecular FormulaC24H29FN8O
Molecular Weight464.55 g/mol
Exact Mass464.24
IUPAC Name2-[(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
SMILESCc1cc2cc(Oc3nc(Nc4cc(C(C)C)[nH]n4)cc(N4CCN(C)CC4)n3)cc(F)c2[nH]1
InChIInChI=1S/C24H29FN8O/c1-14(2)19-12-21(31-30-19)27-20-13-22(33-7-5-32(4)6-8-33)29-24(28-20)34-17-10-16-9-15(3)26-23(16)18(25)11-17/h9-14,26H,5-8H2,1-4H3,(H2,27,28,29,30,31)
InChIKeyZAZNKEGIOHSMOZ-UHFFFAOYSA-N
XLogP4.54
TPSA97.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc2cc(Oc3nc(Nc4cc(C(C)C)[nH]n4)cc(N4CCN(C)CC4)n3)cc(F)c2[nH]1.
What is the InChIKey of 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?
The InChIKey is ZAZNKEGIOHSMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN8O/c1-14(2)19-12-21(31-30-19)27-20-13-22(33-7-5-32(4)6-8-33)29-24(28-20)34-17-10-16-9-15(3)26-23(16)18(25)11-17/h9-14,26H,5-8H2,1-4H3,(H2,27,28,29,30,31).
What are the key properties of 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?
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 has a molecular weight of 464.55 g/mol, XLogP of 4.54, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90147349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).