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

C24H24FN7O — CID 90117519

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-4-amine
SMILESCc1cc2c(F)c(Oc3nc(Nc4cc(C5CC5)[nH]n4)cc(C4=CCNCC4)n3)ccc2[nH]1
InChIInChI=1S/C24H24FN7O/c1-13-10-16-17(27-13)4-5-20(23(16)25)33-24-28-18(15-6-8-26-9-7-15)11-21(30-24)29-22-12-19(31-32-22)14-2-3-14/h4-6,10-12,14,26-27H,2-3,7-9H2,1H3,(H2,28,29,30,31,32)
InChIKeySODDEVGCWNNBPM-UHFFFAOYSA-N
MW445.50 g/mol
LogP4.92
Rot. Bonds6

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

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-4-amine (PubChem CID 90117519) has the molecular formula C24H24FN7O and a molecular weight of 445.50 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-4-amine
PubChem CID90117519
Molecular FormulaC24H24FN7O
Molecular Weight445.50 g/mol
Exact Mass445.20
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-4-amine
SMILESCc1cc2c(F)c(Oc3nc(Nc4cc(C5CC5)[nH]n4)cc(C4=CCNCC4)n3)ccc2[nH]1
InChIInChI=1S/C24H24FN7O/c1-13-10-16-17(27-13)4-5-20(23(16)25)33-24-28-18(15-6-8-26-9-7-15)11-21(30-24)29-22-12-19(31-32-22)14-2-3-14/h4-6,10-12,14,26-27H,2-3,7-9H2,1H3,(H2,28,29,30,31,32)
InChIKeySODDEVGCWNNBPM-UHFFFAOYSA-N
XLogP4.92
TPSA103.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 54.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-4-amine?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-4-amine (CID 90117519) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-4-amine?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-4-amine is Cc1cc2c(F)c(Oc3nc(Nc4cc(C5CC5)[nH]n4)cc(C4=CCNCC4)n3)ccc2[nH]1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-4-amine?
The InChIKey is SODDEVGCWNNBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7O/c1-13-10-16-17(27-13)4-5-20(23(16)25)33-24-28-18(15-6-8-26-9-7-15)11-21(30-24)29-22-12-19(31-32-22)14-2-3-14/h4-6,10-12,14,26-27H,2-3,7-9H2,1H3,(H2,28,29,30,31,32).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-4-amine?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-4-amine has a molecular weight of 445.50 g/mol, XLogP of 4.92, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 90117519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).