1-methyl-N-[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]indol-5-amine

C25H25N7O — CID 121272091

IUPAC1-methyl-N-[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]indol-5-amine
SMILESCn1ccc2cc(Nc3cc(-c4ccc5cnn(C)c5c4)nc(N4CCOCC4)n3)ccc21
InChIInChI=1S/C25H25N7O/c1-30-8-7-18-13-20(5-6-22(18)30)27-24-15-21(28-25(29-24)32-9-11-33-12-10-32)17-3-4-19-16-26-31(2)23(19)14-17/h3-8,13-16H,9-12H2,1-2H3,(H,27,28,29)
InChIKeyXZDRXYVXGMFYQM-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.10
Rot. Bonds4

About 1-methyl-N-[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]indol-5-amine

1-methyl-N-[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]indol-5-amine (PubChem CID 121272091) has the molecular formula C25H25N7O and a molecular weight of 439.52 g/mol. Its IUPAC name is 1-methyl-N-[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]indol-5-amine.

Molecular Properties

Compound Name1-methyl-N-[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]indol-5-amine
PubChem CID121272091
Molecular FormulaC25H25N7O
Molecular Weight439.52 g/mol
Exact Mass439.21
IUPAC Name1-methyl-N-[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]indol-5-amine
SMILESCn1ccc2cc(Nc3cc(-c4ccc5cnn(C)c5c4)nc(N4CCOCC4)n3)ccc21
InChIInChI=1S/C25H25N7O/c1-30-8-7-18-13-20(5-6-22(18)30)27-24-15-21(28-25(29-24)32-9-11-33-12-10-32)17-3-4-19-16-26-31(2)23(19)14-17/h3-8,13-16H,9-12H2,1-2H3,(H,27,28,29)
InChIKeyXZDRXYVXGMFYQM-UHFFFAOYSA-N
XLogP4.10
TPSA73.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]indol-5-amine?
The IUPAC name of 1-methyl-N-[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]indol-5-amine (CID 121272091) is 1-methyl-N-[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]indol-5-amine.
What is the SMILES notation for 1-methyl-N-[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]indol-5-amine?
The canonical SMILES for 1-methyl-N-[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]indol-5-amine is Cn1ccc2cc(Nc3cc(-c4ccc5cnn(C)c5c4)nc(N4CCOCC4)n3)ccc21.
What is the InChIKey of 1-methyl-N-[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]indol-5-amine?
The InChIKey is XZDRXYVXGMFYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O/c1-30-8-7-18-13-20(5-6-22(18)30)27-24-15-21(28-25(29-24)32-9-11-33-12-10-32)17-3-4-19-16-26-31(2)23(19)14-17/h3-8,13-16H,9-12H2,1-2H3,(H,27,28,29).
What are the key properties of 1-methyl-N-[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]indol-5-amine?
1-methyl-N-[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]indol-5-amine has a molecular weight of 439.52 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]indol-5-amine is sourced from PubChem (CID 121272091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).