6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-4-N-propan-2-ylpyrimidine-4,6-diamine

C22H24FN7O — CID 118446542

IUPAC6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1cc2c(F)c(Oc3nc(Nc4cc(C5CC5)[nH]n4)cc(NC(C)C)n3)ccc2[nH]1
InChIInChI=1S/C22H24FN7O/c1-11(2)24-18-10-19(26-20-9-16(29-30-20)13-4-5-13)28-22(27-18)31-17-7-6-15-14(21(17)23)8-12(3)25-15/h6-11,13,25H,4-5H2,1-3H3,(H3,24,26,27,28,29,30)
InChIKeyCUNLOFIHQKNTDM-UHFFFAOYSA-N
MW421.48 g/mol
LogP5.36
Rot. Bonds7

About 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-4-N-propan-2-ylpyrimidine-4,6-diamine

6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-4-N-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 118446542) has the molecular formula C22H24FN7O and a molecular weight of 421.48 g/mol. Its IUPAC name is 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-4-N-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-4-N-propan-2-ylpyrimidine-4,6-diamine
PubChem CID118446542
Molecular FormulaC22H24FN7O
Molecular Weight421.48 g/mol
Exact Mass421.20
IUPAC Name6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1cc2c(F)c(Oc3nc(Nc4cc(C5CC5)[nH]n4)cc(NC(C)C)n3)ccc2[nH]1
InChIInChI=1S/C22H24FN7O/c1-11(2)24-18-10-19(26-20-9-16(29-30-20)13-4-5-13)28-22(27-18)31-17-7-6-15-14(21(17)23)8-12(3)25-15/h6-11,13,25H,4-5H2,1-3H3,(H3,24,26,27,28,29,30)
InChIKeyCUNLOFIHQKNTDM-UHFFFAOYSA-N
XLogP5.36
TPSA103.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.48
LogP ≤ 55.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-4-N-propan-2-ylpyrimidine-4,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-4-N-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-4-N-propan-2-ylpyrimidine-4,6-diamine (CID 118446542) is 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-4-N-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-4-N-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-4-N-propan-2-ylpyrimidine-4,6-diamine is Cc1cc2c(F)c(Oc3nc(Nc4cc(C5CC5)[nH]n4)cc(NC(C)C)n3)ccc2[nH]1.
What is the InChIKey of 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-4-N-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is CUNLOFIHQKNTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN7O/c1-11(2)24-18-10-19(26-20-9-16(29-30-20)13-4-5-13)28-22(27-18)31-17-7-6-15-14(21(17)23)8-12(3)25-15/h6-11,13,25H,4-5H2,1-3H3,(H3,24,26,27,28,29,30).
What are the key properties of 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-4-N-propan-2-ylpyrimidine-4,6-diamine?
6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-4-N-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 421.48 g/mol, XLogP of 5.36, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-4-N-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 118446542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).