(3R)-3-fluoro-1-methylpyrrolidine;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine

C21H28FN9 — CID 171551090

IUPAC(3R)-3-fluoro-1-methylpyrrolidine;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
SMILESCN1CC[C@@H](F)C1.Cc1nc2ccc(-c3ccn4nc(N)nc(N)c34)nc2n1C(C)C
InChIInChI=1S/C16H18N8.C5H10FN/c1-8(2)24-9(3)19-12-5-4-11(20-15(12)24)10-6-7-23-13(10)14(17)21-16(18)22-23;1-7-3-2-5(6)4-7/h4-8H,1-3H3,(H4,17,18,21,22);5H,2-4H2,1H3/t;5-/m.1/s1
InChIKeyWPHABJAILFKFJX-QDXATWJZSA-N
MW425.52 g/mol
LogP2.85
Rot. Bonds2

About (3R)-3-fluoro-1-methylpyrrolidine;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine

(3R)-3-fluoro-1-methylpyrrolidine;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine (PubChem CID 171551090) has the molecular formula C21H28FN9 and a molecular weight of 425.52 g/mol. Its IUPAC name is (3R)-3-fluoro-1-methylpyrrolidine;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine.

Molecular Properties

Compound Name(3R)-3-fluoro-1-methylpyrrolidine;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
PubChem CID171551090
Molecular FormulaC21H28FN9
Molecular Weight425.52 g/mol
Exact Mass425.25
IUPAC Name(3R)-3-fluoro-1-methylpyrrolidine;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
SMILESCN1CC[C@@H](F)C1.Cc1nc2ccc(-c3ccn4nc(N)nc(N)c34)nc2n1C(C)C
InChIInChI=1S/C16H18N8.C5H10FN/c1-8(2)24-9(3)19-12-5-4-11(20-15(12)24)10-6-7-23-13(10)14(17)21-16(18)22-23;1-7-3-2-5(6)4-7/h4-8H,1-3H3,(H4,17,18,21,22);5H,2-4H2,1H3/t;5-/m.1/s1
InChIKeyWPHABJAILFKFJX-QDXATWJZSA-N
XLogP2.85
TPSA116.18 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.52
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (3R)-3-fluoro-1-methylpyrrolidine;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclohexane;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171551818
5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171550735
2-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171551219
1-ethylpyrrolidine;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171551436
1-ethylcyclohexan-1-ol;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171551820
3-fluoro-1-(2-methoxyethyl)piperidine;4-N-methyl-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171551611
5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine;(3R)-1-ethyl-3-fluoropyrrolidine
CID 171552268
2-N-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171550795
(3R)-3-fluoro-1-(oxetan-3-yl)piperidine;5-[2-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171551704
2-cyclohexylpropan-2-ol;4-N-methyl-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171552317
2-N-[(4R)-1-ethyl-3,3-difluoropiperidin-4-yl]-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171733976
2-N-[(3R,4S)-3-fluoro-1-(3-isocyanooxetan-3-yl)piperidin-4-yl]-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171733777

Frequently Asked Questions

What is the IUPAC name of (3R)-3-fluoro-1-methylpyrrolidine;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
The IUPAC name of (3R)-3-fluoro-1-methylpyrrolidine;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine (CID 171551090) is (3R)-3-fluoro-1-methylpyrrolidine;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine.
What is the SMILES notation for (3R)-3-fluoro-1-methylpyrrolidine;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
The canonical SMILES for (3R)-3-fluoro-1-methylpyrrolidine;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine is CN1CC[C@@H](F)C1.Cc1nc2ccc(-c3ccn4nc(N)nc(N)c34)nc2n1C(C)C.
What is the InChIKey of (3R)-3-fluoro-1-methylpyrrolidine;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
The InChIKey is WPHABJAILFKFJX-QDXATWJZSA-N. The full InChI is InChI=1S/C16H18N8.C5H10FN/c1-8(2)24-9(3)19-12-5-4-11(20-15(12)24)10-6-7-23-13(10)14(17)21-16(18)22-23;1-7-3-2-5(6)4-7/h4-8H,1-3H3,(H4,17,18,21,22);5H,2-4H2,1H3/t;5-/m.1/s1.
What are the key properties of (3R)-3-fluoro-1-methylpyrrolidine;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
(3R)-3-fluoro-1-methylpyrrolidine;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine has a molecular weight of 425.52 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-fluoro-1-methylpyrrolidine;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine is sourced from PubChem (CID 171551090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).