6-propan-2-yl-2-[2-(1H-pyrrolo[2,3-c]pyridin-2-yl)propyl]-1H-pyrrolo[3,2-c]pyridine

C20H22N4 — CID 146339122

IUPAC6-propan-2-yl-2-[2-(1H-pyrrolo[2,3-c]pyridin-2-yl)propyl]-1H-pyrrolo[3,2-c]pyridine
SMILESCC(C)c1cc2[nH]c(CC(C)c3cc4ccncc4[nH]3)cc2cn1
InChIInChI=1S/C20H22N4/c1-12(2)17-9-19-15(10-22-17)7-16(23-19)6-13(3)18-8-14-4-5-21-11-20(14)24-18/h4-5,7-13,23-24H,6H2,1-3H3
InChIKeyRKRJIPUTSAHELT-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.91
Rot. Bonds4

About 6-propan-2-yl-2-[2-(1H-pyrrolo[2,3-c]pyridin-2-yl)propyl]-1H-pyrrolo[3,2-c]pyridine

6-propan-2-yl-2-[2-(1H-pyrrolo[2,3-c]pyridin-2-yl)propyl]-1H-pyrrolo[3,2-c]pyridine (PubChem CID 146339122) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 6-propan-2-yl-2-[2-(1H-pyrrolo[2,3-c]pyridin-2-yl)propyl]-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name6-propan-2-yl-2-[2-(1H-pyrrolo[2,3-c]pyridin-2-yl)propyl]-1H-pyrrolo[3,2-c]pyridine
PubChem CID146339122
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name6-propan-2-yl-2-[2-(1H-pyrrolo[2,3-c]pyridin-2-yl)propyl]-1H-pyrrolo[3,2-c]pyridine
SMILESCC(C)c1cc2[nH]c(CC(C)c3cc4ccncc4[nH]3)cc2cn1
InChIInChI=1S/C20H22N4/c1-12(2)17-9-19-15(10-22-17)7-16(23-19)6-13(3)18-8-14-4-5-21-11-20(14)24-18/h4-5,7-13,23-24H,6H2,1-3H3
InChIKeyRKRJIPUTSAHELT-UHFFFAOYSA-N
XLogP4.91
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-2-[2-(1H-pyrrolo[2,3-c]pyridin-2-yl)propyl]-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 6-propan-2-yl-2-[2-(1H-pyrrolo[2,3-c]pyridin-2-yl)propyl]-1H-pyrrolo[3,2-c]pyridine (CID 146339122) is 6-propan-2-yl-2-[2-(1H-pyrrolo[2,3-c]pyridin-2-yl)propyl]-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 6-propan-2-yl-2-[2-(1H-pyrrolo[2,3-c]pyridin-2-yl)propyl]-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 6-propan-2-yl-2-[2-(1H-pyrrolo[2,3-c]pyridin-2-yl)propyl]-1H-pyrrolo[3,2-c]pyridine is CC(C)c1cc2[nH]c(CC(C)c3cc4ccncc4[nH]3)cc2cn1.
What is the InChIKey of 6-propan-2-yl-2-[2-(1H-pyrrolo[2,3-c]pyridin-2-yl)propyl]-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is RKRJIPUTSAHELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-12(2)17-9-19-15(10-22-17)7-16(23-19)6-13(3)18-8-14-4-5-21-11-20(14)24-18/h4-5,7-13,23-24H,6H2,1-3H3.
What are the key properties of 6-propan-2-yl-2-[2-(1H-pyrrolo[2,3-c]pyridin-2-yl)propyl]-1H-pyrrolo[3,2-c]pyridine?
6-propan-2-yl-2-[2-(1H-pyrrolo[2,3-c]pyridin-2-yl)propyl]-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 318.42 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-2-[2-(1H-pyrrolo[2,3-c]pyridin-2-yl)propyl]-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 146339122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).