N,1-dimethyl-3-[[4-(methylamino)-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclobutane-1-carboxamide

C24H31N9O — CID 171550776

IUPACN,1-dimethyl-3-[[4-(methylamino)-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclobutane-1-carboxamide
SMILESCNC(=O)C1(C)CC(Nc2nc(NC)c3c(-c4ccc5nc(C)n(C(C)C)c5n4)ccn3n2)C1
InChIInChI=1S/C24H31N9O/c1-13(2)33-14(3)27-18-8-7-17(29-21(18)33)16-9-10-32-19(16)20(25-5)30-23(31-32)28-15-11-24(4,12-15)22(34)26-6/h7-10,13,15H,11-12H2,1-6H3,(H,26,34)(H2,25,28,30,31)
InChIKeyLBUQZNNDTLFBFK-UHFFFAOYSA-N
MW461.57 g/mol
LogP3.40
Rot. Bonds6

About N,1-dimethyl-3-[[4-(methylamino)-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclobutane-1-carboxamide

N,1-dimethyl-3-[[4-(methylamino)-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclobutane-1-carboxamide (PubChem CID 171550776) has the molecular formula C24H31N9O and a molecular weight of 461.57 g/mol. Its IUPAC name is N,1-dimethyl-3-[[4-(methylamino)-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-3-[[4-(methylamino)-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclobutane-1-carboxamide
PubChem CID171550776
Molecular FormulaC24H31N9O
Molecular Weight461.57 g/mol
Exact Mass461.27
IUPAC NameN,1-dimethyl-3-[[4-(methylamino)-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclobutane-1-carboxamide
SMILESCNC(=O)C1(C)CC(Nc2nc(NC)c3c(-c4ccc5nc(C)n(C(C)C)c5n4)ccn3n2)C1
InChIInChI=1S/C24H31N9O/c1-13(2)33-14(3)27-18-8-7-17(29-21(18)33)16-9-10-32-19(16)20(25-5)30-23(31-32)28-15-11-24(4,12-15)22(34)26-6/h7-10,13,15H,11-12H2,1-6H3,(H,26,34)(H2,25,28,30,31)
InChIKeyLBUQZNNDTLFBFK-UHFFFAOYSA-N
XLogP3.40
TPSA114.06 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N,1-dimethyl-3-[[4-(methylamino)-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclobutane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-3-[[4-(methylamino)-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclobutane-1-carboxamide?
The IUPAC name of N,1-dimethyl-3-[[4-(methylamino)-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclobutane-1-carboxamide (CID 171550776) is N,1-dimethyl-3-[[4-(methylamino)-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclobutane-1-carboxamide.
What is the SMILES notation for N,1-dimethyl-3-[[4-(methylamino)-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclobutane-1-carboxamide?
The canonical SMILES for N,1-dimethyl-3-[[4-(methylamino)-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclobutane-1-carboxamide is CNC(=O)C1(C)CC(Nc2nc(NC)c3c(-c4ccc5nc(C)n(C(C)C)c5n4)ccn3n2)C1.
What is the InChIKey of N,1-dimethyl-3-[[4-(methylamino)-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclobutane-1-carboxamide?
The InChIKey is LBUQZNNDTLFBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N9O/c1-13(2)33-14(3)27-18-8-7-17(29-21(18)33)16-9-10-32-19(16)20(25-5)30-23(31-32)28-15-11-24(4,12-15)22(34)26-6/h7-10,13,15H,11-12H2,1-6H3,(H,26,34)(H2,25,28,30,31).
What are the key properties of N,1-dimethyl-3-[[4-(methylamino)-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclobutane-1-carboxamide?
N,1-dimethyl-3-[[4-(methylamino)-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclobutane-1-carboxamide has a molecular weight of 461.57 g/mol, XLogP of 3.40, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-3-[[4-(methylamino)-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclobutane-1-carboxamide is sourced from PubChem (CID 171550776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).