3-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;5-iodo-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;methane;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;7-propan-2-yl-5-(2H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine

C43H55FIN15 — CID 159856000

IUPAC3-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;5-iodo-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;methane;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;7-propan-2-yl-5-(2H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESC.CC(C)n1cc(C2=NCC=C2)c2c(N)ncnc21.CC(C)n1cc(F)c2c(N)ccnc21.CC(C)n1cc(I)c2c(N)ncnc21.CC(C)n1ccc2c(N)ccnc21
InChIInChI=1S/C13H15N5.C10H12FN3.C10H13N3.C9H11IN4.CH4/c1-8(2)18-6-9(10-4-3-5-15-10)11-12(14)16-7-17-13(11)18;1-6(2)14-5-7(11)9-8(12)3-4-13-10(9)14;1-7(2)13-6-4-8-9(11)3-5-12-10(8)13;1-5(2)14-3-6(10)7-8(11)12-4-13-9(7)14;/h3-4,6-8H,5H2,1-2H3,(H2,14,16,17);3-6H,1-2H3,(H2,12,13);3-7H,1-2H3,(H2,11,12);3-5H,1-2H3,(H2,11,12,13);1H4
InChIKeyNQNOFKCRPREGAO-UHFFFAOYSA-N
MW927.92 g/mol
LogP9.33
Rot. Bonds5

About 3-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;5-iodo-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;methane;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;7-propan-2-yl-5-(2H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine

3-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;5-iodo-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;methane;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;7-propan-2-yl-5-(2H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 159856000) has the molecular formula C43H55FIN15 and a molecular weight of 927.92 g/mol. Its IUPAC name is 3-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;5-iodo-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;methane;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;7-propan-2-yl-5-(2H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;5-iodo-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;methane;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;7-propan-2-yl-5-(2H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID159856000
Molecular FormulaC43H55FIN15
Molecular Weight927.92 g/mol
Exact Mass927.38
IUPAC Name3-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;5-iodo-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;methane;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;7-propan-2-yl-5-(2H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESC.CC(C)n1cc(C2=NCC=C2)c2c(N)ncnc21.CC(C)n1cc(F)c2c(N)ccnc21.CC(C)n1cc(I)c2c(N)ncnc21.CC(C)n1ccc2c(N)ccnc21
InChIInChI=1S/C13H15N5.C10H12FN3.C10H13N3.C9H11IN4.CH4/c1-8(2)18-6-9(10-4-3-5-15-10)11-12(14)16-7-17-13(11)18;1-6(2)14-5-7(11)9-8(12)3-4-13-10(9)14;1-7(2)13-6-4-8-9(11)3-5-12-10(8)13;1-5(2)14-3-6(10)7-8(11)12-4-13-9(7)14;/h3-4,6-8H,5H2,1-2H3,(H2,14,16,17);3-6H,1-2H3,(H2,12,13);3-7H,1-2H3,(H2,11,12);3-5H,1-2H3,(H2,11,12,13);1H4
InChIKeyNQNOFKCRPREGAO-UHFFFAOYSA-N
XLogP9.33
TPSA213.50 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500927.92
LogP ≤ 59.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;5-iodo-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;methane;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;7-propan-2-yl-5-(2H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine 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

3-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine
CID 90347961
3-iodo-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine
CID 90347962
7-[1-[2-(2-fluorophenyl)-3H-pyrrol-4-yl]ethyl]-5-(2H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 160628160
4-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol
CID 19597475
4-chloro-5-iodo-7-propan-2-ylpyrrolo[2,3-d]pyrimidine
CID 19597426
5-tert-butyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 59021381
7-(1-cyclopropylprop-2-ynyl)-5-iodopyrrolo[2,3-d]pyrimidin-4-amine
CID 134518922
N-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 142359850
5-(5-cyclopropyl-4-methyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;ethane
CID 142624730
ethane;4-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridine
CID 172576281
7-[1-[2-(2-fluorophenyl)-1H-imidazol-5-yl]ethyl]-5-isoquinolin-8-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 134528375
7-ethyl-5-iodopyrrolo[2,3-d]pyrimidin-4-amine
CID 68784661

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;5-iodo-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;methane;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;7-propan-2-yl-5-(2H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 3-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;5-iodo-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;methane;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;7-propan-2-yl-5-(2H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 159856000) is 3-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;5-iodo-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;methane;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;7-propan-2-yl-5-(2H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 3-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;5-iodo-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;methane;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;7-propan-2-yl-5-(2H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 3-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;5-iodo-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;methane;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;7-propan-2-yl-5-(2H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine is C.CC(C)n1cc(C2=NCC=C2)c2c(N)ncnc21.CC(C)n1cc(F)c2c(N)ccnc21.CC(C)n1cc(I)c2c(N)ncnc21.CC(C)n1ccc2c(N)ccnc21.
What is the InChIKey of 3-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;5-iodo-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;methane;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;7-propan-2-yl-5-(2H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is NQNOFKCRPREGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5.C10H12FN3.C10H13N3.C9H11IN4.CH4/c1-8(2)18-6-9(10-4-3-5-15-10)11-12(14)16-7-17-13(11)18;1-6(2)14-5-7(11)9-8(12)3-4-13-10(9)14;1-7(2)13-6-4-8-9(11)3-5-12-10(8)13;1-5(2)14-3-6(10)7-8(11)12-4-13-9(7)14;/h3-4,6-8H,5H2,1-2H3,(H2,14,16,17);3-6H,1-2H3,(H2,12,13);3-7H,1-2H3,(H2,11,12);3-5H,1-2H3,(H2,11,12,13);1H4.
What are the key properties of 3-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;5-iodo-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;methane;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;7-propan-2-yl-5-(2H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
3-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;5-iodo-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;methane;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;7-propan-2-yl-5-(2H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 927.92 g/mol, XLogP of 9.33, 5 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;5-iodo-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;methane;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;7-propan-2-yl-5-(2H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 159856000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).