2-[(6-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(5-propyl-1H-pyrazol-3-yl)pyrimidin-4-amine

C24H29FN8O — CID 90147350

IUPAC2-[(6-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(5-propyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCCCc1cc(Nc2cc(N3CCN(C)CC3)nc(Oc3cc4cc(C)[nH]c4cc3F)n2)n[nH]1
InChIInChI=1S/C24H29FN8O/c1-4-5-17-12-22(31-30-17)27-21-14-23(33-8-6-32(3)7-9-33)29-24(28-21)34-20-11-16-10-15(2)26-19(16)13-18(20)25/h10-14,26H,4-9H2,1-3H3,(H2,27,28,29,30,31)
InChIKeyRTLATXYWPBXUDU-UHFFFAOYSA-N
MW464.55 g/mol
LogP4.37
Rot. Bonds7

About 2-[(6-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(5-propyl-1H-pyrazol-3-yl)pyrimidin-4-amine

2-[(6-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(5-propyl-1H-pyrazol-3-yl)pyrimidin-4-amine (PubChem CID 90147350) has the molecular formula C24H29FN8O and a molecular weight of 464.55 g/mol. Its IUPAC name is 2-[(6-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(5-propyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(6-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(5-propyl-1H-pyrazol-3-yl)pyrimidin-4-amine
PubChem CID90147350
Molecular FormulaC24H29FN8O
Molecular Weight464.55 g/mol
Exact Mass464.24
IUPAC Name2-[(6-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(5-propyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCCCc1cc(Nc2cc(N3CCN(C)CC3)nc(Oc3cc4cc(C)[nH]c4cc3F)n2)n[nH]1
InChIInChI=1S/C24H29FN8O/c1-4-5-17-12-22(31-30-17)27-21-14-23(33-8-6-32(3)7-9-33)29-24(28-21)34-20-11-16-10-15(2)26-19(16)13-18(20)25/h10-14,26H,4-9H2,1-3H3,(H2,27,28,29,30,31)
InChIKeyRTLATXYWPBXUDU-UHFFFAOYSA-N
XLogP4.37
TPSA97.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(5-propyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 2-[(6-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(5-propyl-1H-pyrazol-3-yl)pyrimidin-4-amine (CID 90147350) is 2-[(6-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(5-propyl-1H-pyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-[(6-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(5-propyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2-[(6-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(5-propyl-1H-pyrazol-3-yl)pyrimidin-4-amine is CCCc1cc(Nc2cc(N3CCN(C)CC3)nc(Oc3cc4cc(C)[nH]c4cc3F)n2)n[nH]1.
What is the InChIKey of 2-[(6-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(5-propyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is RTLATXYWPBXUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN8O/c1-4-5-17-12-22(31-30-17)27-21-14-23(33-8-6-32(3)7-9-33)29-24(28-21)34-20-11-16-10-15(2)26-19(16)13-18(20)25/h10-14,26H,4-9H2,1-3H3,(H2,27,28,29,30,31).
What are the key properties of 2-[(6-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(5-propyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
2-[(6-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(5-propyl-1H-pyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 464.55 g/mol, XLogP of 4.37, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(5-propyl-1H-pyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 90147350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).