3-methyl-2-propan-2-yl-6-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)propyl]imidazo[4,5-c]pyridine

C20H23N5 — CID 167175949

IUPAC3-methyl-2-propan-2-yl-6-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)propyl]imidazo[4,5-c]pyridine
SMILESCC(C)c1nc2cc(CC(C)c3cc4cccnc4[nH]3)ncc2n1C
InChIInChI=1S/C20H23N5/c1-12(2)20-24-17-10-15(22-11-18(17)25(20)4)8-13(3)16-9-14-6-5-7-21-19(14)23-16/h5-7,9-13H,8H2,1-4H3,(H,21,23)
InChIKeyVBWLGFNNMFUGBV-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.31
Rot. Bonds4

About 3-methyl-2-propan-2-yl-6-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)propyl]imidazo[4,5-c]pyridine

3-methyl-2-propan-2-yl-6-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)propyl]imidazo[4,5-c]pyridine (PubChem CID 167175949) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 3-methyl-2-propan-2-yl-6-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)propyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name3-methyl-2-propan-2-yl-6-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)propyl]imidazo[4,5-c]pyridine
PubChem CID167175949
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name3-methyl-2-propan-2-yl-6-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)propyl]imidazo[4,5-c]pyridine
SMILESCC(C)c1nc2cc(CC(C)c3cc4cccnc4[nH]3)ncc2n1C
InChIInChI=1S/C20H23N5/c1-12(2)20-24-17-10-15(22-11-18(17)25(20)4)8-13(3)16-9-14-6-5-7-21-19(14)23-16/h5-7,9-13H,8H2,1-4H3,(H,21,23)
InChIKeyVBWLGFNNMFUGBV-UHFFFAOYSA-N
XLogP4.31
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-propan-2-yl-6-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)propyl]imidazo[4,5-c]pyridine?
The IUPAC name of 3-methyl-2-propan-2-yl-6-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)propyl]imidazo[4,5-c]pyridine (CID 167175949) is 3-methyl-2-propan-2-yl-6-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)propyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 3-methyl-2-propan-2-yl-6-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)propyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 3-methyl-2-propan-2-yl-6-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)propyl]imidazo[4,5-c]pyridine is CC(C)c1nc2cc(CC(C)c3cc4cccnc4[nH]3)ncc2n1C.
What is the InChIKey of 3-methyl-2-propan-2-yl-6-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)propyl]imidazo[4,5-c]pyridine?
The InChIKey is VBWLGFNNMFUGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-12(2)20-24-17-10-15(22-11-18(17)25(20)4)8-13(3)16-9-14-6-5-7-21-19(14)23-16/h5-7,9-13H,8H2,1-4H3,(H,21,23).
What are the key properties of 3-methyl-2-propan-2-yl-6-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)propyl]imidazo[4,5-c]pyridine?
3-methyl-2-propan-2-yl-6-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)propyl]imidazo[4,5-c]pyridine has a molecular weight of 333.44 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propan-2-yl-6-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)propyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 167175949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).