5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3,5-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine;bis(3-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine);5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;5-propan-2-yl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine

C78H93ClF3N15 — CID 159784938

IUPAC5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3,5-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine;bis(3-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine);5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;5-propan-2-yl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)(C)c1cnc2[nH]ccc2c1.CC(C)c1cnc2[nH]cc(C#N)c2c1.CC(C)c1cnc2[nH]cc(C(C)C)c2c1.CC(C)c1cnc2[nH]cc(C(F)(F)F)c2c1.CC(C)c1cnc2[nH]cc(Cl)c2c1.Cc1c[nH]c2ncc(C(C)C)cc12.Cc1c[nH]c2ncc(C(C)C)cc12
InChIInChI=1S/C13H18N2.C11H11F3N2.C11H11N3.3C11H14N2.C10H11ClN2/c1-8(2)10-5-11-12(9(3)4)7-15-13(11)14-6-10;1-6(2)7-3-8-9(11(12,13)14)5-16-10(8)15-4-7;1-7(2)8-3-10-9(4-12)6-14-11(10)13-5-8;2*1-7(2)9-4-10-8(3)5-12-11(10)13-6-9;1-11(2,3)9-6-8-4-5-12-10(8)13-7-9;1-6(2)7-3-8-9(11)5-13-10(8)12-4-7/h5-9H,1-4H3,(H,14,15);3-6H,1-2H3,(H,15,16);3,5-7H,1-2H3,(H,13,14);3*4-7H,1-3H3,(H,12,13);3-6H,1-2H3,(H,12,13)
InChIKeyNHVHFDYPXUFHPZ-UHFFFAOYSA-N
MW1333.15 g/mol
LogP22.26
Rot. Bonds7

About 5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3,5-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine;bis(3-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine);5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;5-propan-2-yl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine

5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3,5-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine;bis(3-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine);5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;5-propan-2-yl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 159784938) has the molecular formula C78H93ClF3N15 and a molecular weight of 1333.15 g/mol. Its IUPAC name is 5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3,5-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine;bis(3-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine);5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;5-propan-2-yl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3,5-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine;bis(3-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine);5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;5-propan-2-yl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID159784938
Molecular FormulaC78H93ClF3N15
Molecular Weight1333.15 g/mol
Exact Mass1331.74
IUPAC Name5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3,5-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine;bis(3-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine);5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;5-propan-2-yl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)(C)c1cnc2[nH]ccc2c1.CC(C)c1cnc2[nH]cc(C#N)c2c1.CC(C)c1cnc2[nH]cc(C(C)C)c2c1.CC(C)c1cnc2[nH]cc(C(F)(F)F)c2c1.CC(C)c1cnc2[nH]cc(Cl)c2c1.Cc1c[nH]c2ncc(C(C)C)cc12.Cc1c[nH]c2ncc(C(C)C)cc12
InChIInChI=1S/C13H18N2.C11H11F3N2.C11H11N3.3C11H14N2.C10H11ClN2/c1-8(2)10-5-11-12(9(3)4)7-15-13(11)14-6-10;1-6(2)7-3-8-9(11(12,13)14)5-16-10(8)15-4-7;1-7(2)8-3-10-9(4-12)6-14-11(10)13-5-8;2*1-7(2)9-4-10-8(3)5-12-11(10)13-6-9;1-11(2,3)9-6-8-4-5-12-10(8)13-7-9;1-6(2)7-3-8-9(11)5-13-10(8)12-4-7/h5-9H,1-4H3,(H,14,15);3-6H,1-2H3,(H,15,16);3,5-7H,1-2H3,(H,13,14);3*4-7H,1-3H3,(H,12,13);3-6H,1-2H3,(H,12,13)
InChIKeyNHVHFDYPXUFHPZ-UHFFFAOYSA-N
XLogP22.26
TPSA224.55 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms97
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001333.15
LogP ≤ 522.26
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Analyze 5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3,5-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine;bis(3-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine);5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;5-propan-2-yl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine 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

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3,5-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine;bis(3-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine);5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;5-propan-2-yl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3,5-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine;bis(3-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine);5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;5-propan-2-yl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine (CID 159784938) is 5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3,5-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine;bis(3-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine);5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;5-propan-2-yl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3,5-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine;bis(3-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine);5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;5-propan-2-yl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3,5-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine;bis(3-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine);5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;5-propan-2-yl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine is CC(C)(C)c1cnc2[nH]ccc2c1.CC(C)c1cnc2[nH]cc(C#N)c2c1.CC(C)c1cnc2[nH]cc(C(C)C)c2c1.CC(C)c1cnc2[nH]cc(C(F)(F)F)c2c1.CC(C)c1cnc2[nH]cc(Cl)c2c1.Cc1c[nH]c2ncc(C(C)C)cc12.Cc1c[nH]c2ncc(C(C)C)cc12.
What is the InChIKey of 5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3,5-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine;bis(3-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine);5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;5-propan-2-yl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is NHVHFDYPXUFHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2.C11H11F3N2.C11H11N3.3C11H14N2.C10H11ClN2/c1-8(2)10-5-11-12(9(3)4)7-15-13(11)14-6-10;1-6(2)7-3-8-9(11(12,13)14)5-16-10(8)15-4-7;1-7(2)8-3-10-9(4-12)6-14-11(10)13-5-8;2*1-7(2)9-4-10-8(3)5-12-11(10)13-6-9;1-11(2,3)9-6-8-4-5-12-10(8)13-7-9;1-6(2)7-3-8-9(11)5-13-10(8)12-4-7/h5-9H,1-4H3,(H,14,15);3-6H,1-2H3,(H,15,16);3,5-7H,1-2H3,(H,13,14);3*4-7H,1-3H3,(H,12,13);3-6H,1-2H3,(H,12,13).
What are the key properties of 5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3,5-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine;bis(3-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine);5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;5-propan-2-yl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3,5-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine;bis(3-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine);5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;5-propan-2-yl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1333.15 g/mol, XLogP of 22.26, 7 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3,5-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine;bis(3-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine);5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;5-propan-2-yl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 159784938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).