4-N-methyl-5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-2-N-[1-(oxetan-3-yl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine

C25H33N9O — CID 171551296

IUPAC4-N-methyl-5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-2-N-[1-(oxetan-3-yl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
SMILESCNc1nc(NC2CCN(C3COC3)CC2)nn2ccc(-c3cnc4nc(C)n(C(C)C)c4c3)c12
InChIInChI=1S/C25H33N9O/c1-15(2)34-16(3)28-23-21(34)11-17(12-27-23)20-7-10-33-22(20)24(26-4)30-25(31-33)29-18-5-8-32(9-6-18)19-13-35-14-19/h7,10-12,15,18-19H,5-6,8-9,13-14H2,1-4H3,(H2,26,29,30,31)
InChIKeyLOZVRQLNMLWVJN-UHFFFAOYSA-N
MW475.60 g/mol
LogP3.35
Rot. Bonds6

About 4-N-methyl-5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-2-N-[1-(oxetan-3-yl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine

4-N-methyl-5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-2-N-[1-(oxetan-3-yl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine (PubChem CID 171551296) has the molecular formula C25H33N9O and a molecular weight of 475.60 g/mol. Its IUPAC name is 4-N-methyl-5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-2-N-[1-(oxetan-3-yl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-2-N-[1-(oxetan-3-yl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
PubChem CID171551296
Molecular FormulaC25H33N9O
Molecular Weight475.60 g/mol
Exact Mass475.28
IUPAC Name4-N-methyl-5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-2-N-[1-(oxetan-3-yl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
SMILESCNc1nc(NC2CCN(C3COC3)CC2)nn2ccc(-c3cnc4nc(C)n(C(C)C)c4c3)c12
InChIInChI=1S/C25H33N9O/c1-15(2)34-16(3)28-23-21(34)11-17(12-27-23)20-7-10-33-22(20)24(26-4)30-25(31-33)29-18-5-8-32(9-6-18)19-13-35-14-19/h7,10-12,15,18-19H,5-6,8-9,13-14H2,1-4H3,(H2,26,29,30,31)
InChIKeyLOZVRQLNMLWVJN-UHFFFAOYSA-N
XLogP3.35
TPSA97.43 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.60
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-N-methyl-5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-2-N-[1-(oxetan-3-yl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-2-N-[1-(oxetan-3-yl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
The IUPAC name of 4-N-methyl-5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-2-N-[1-(oxetan-3-yl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine (CID 171551296) is 4-N-methyl-5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-2-N-[1-(oxetan-3-yl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-2-N-[1-(oxetan-3-yl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
The canonical SMILES for 4-N-methyl-5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-2-N-[1-(oxetan-3-yl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine is CNc1nc(NC2CCN(C3COC3)CC2)nn2ccc(-c3cnc4nc(C)n(C(C)C)c4c3)c12.
What is the InChIKey of 4-N-methyl-5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-2-N-[1-(oxetan-3-yl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
The InChIKey is LOZVRQLNMLWVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N9O/c1-15(2)34-16(3)28-23-21(34)11-17(12-27-23)20-7-10-33-22(20)24(26-4)30-25(31-33)29-18-5-8-32(9-6-18)19-13-35-14-19/h7,10-12,15,18-19H,5-6,8-9,13-14H2,1-4H3,(H2,26,29,30,31).
What are the key properties of 4-N-methyl-5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-2-N-[1-(oxetan-3-yl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
4-N-methyl-5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-2-N-[1-(oxetan-3-yl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine has a molecular weight of 475.60 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-2-N-[1-(oxetan-3-yl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine is sourced from PubChem (CID 171551296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).