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

C24H27FN8O — CID 118446914

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1cc2c(F)c(Oc3cc(Nc4cc(C5CC5)[nH]n4)nc(N4CCN(C)CC4)n3)ccc2[nH]1
InChIInChI=1S/C24H27FN8O/c1-14-11-16-17(26-14)5-6-19(23(16)25)34-22-13-20(27-21-12-18(30-31-21)15-3-4-15)28-24(29-22)33-9-7-32(2)8-10-33/h5-6,11-13,15,26H,3-4,7-10H2,1-2H3,(H2,27,28,29,30,31)
InChIKeyUXHQEECGHCCWCO-UHFFFAOYSA-N
MW462.53 g/mol
LogP4.29
Rot. Bonds6

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

N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 118446914) has the molecular formula C24H27FN8O and a molecular weight of 462.53 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID118446914
Molecular FormulaC24H27FN8O
Molecular Weight462.53 g/mol
Exact Mass462.23
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1cc2c(F)c(Oc3cc(Nc4cc(C5CC5)[nH]n4)nc(N4CCN(C)CC4)n3)ccc2[nH]1
InChIInChI=1S/C24H27FN8O/c1-14-11-16-17(26-14)5-6-19(23(16)25)34-22-13-20(27-21-12-18(30-31-21)15-3-4-15)28-24(29-22)33-9-7-32(2)8-10-33/h5-6,11-13,15,26H,3-4,7-10H2,1-2H3,(H2,27,28,29,30,31)
InChIKeyUXHQEECGHCCWCO-UHFFFAOYSA-N
XLogP4.29
TPSA97.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine (CID 118446914) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine is Cc1cc2c(F)c(Oc3cc(Nc4cc(C5CC5)[nH]n4)nc(N4CCN(C)CC4)n3)ccc2[nH]1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is UXHQEECGHCCWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN8O/c1-14-11-16-17(26-14)5-6-19(23(16)25)34-22-13-20(27-21-12-18(30-31-21)15-3-4-15)28-24(29-22)33-9-7-32(2)8-10-33/h5-6,11-13,15,26H,3-4,7-10H2,1-2H3,(H2,27,28,29,30,31).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 462.53 g/mol, XLogP of 4.29, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 118446914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).