5-[3-(2-methylpropyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine

C18H28N4 — CID 175966706

IUPAC5-[3-(2-methylpropyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine
SMILESCC(C)CC1CN(c2ccc3[nH]cc(C(C)C)c3n2)CCN1
InChIInChI=1S/C18H28N4/c1-12(2)9-14-11-22(8-7-19-14)17-6-5-16-18(21-17)15(10-20-16)13(3)4/h5-6,10,12-14,19-20H,7-9,11H2,1-4H3
InChIKeyPATWFMPHKGDLMB-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.51
Rot. Bonds4

About 5-[3-(2-methylpropyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine

5-[3-(2-methylpropyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine (PubChem CID 175966706) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is 5-[3-(2-methylpropyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name5-[3-(2-methylpropyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine
PubChem CID175966706
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC Name5-[3-(2-methylpropyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine
SMILESCC(C)CC1CN(c2ccc3[nH]cc(C(C)C)c3n2)CCN1
InChIInChI=1S/C18H28N4/c1-12(2)9-14-11-22(8-7-19-14)17-6-5-16-18(21-17)15(10-20-16)13(3)4/h5-6,10,12-14,19-20H,7-9,11H2,1-4H3
InChIKeyPATWFMPHKGDLMB-UHFFFAOYSA-N
XLogP3.51
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-methylpropyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 5-[3-(2-methylpropyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine (CID 175966706) is 5-[3-(2-methylpropyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 5-[3-(2-methylpropyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 5-[3-(2-methylpropyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine is CC(C)CC1CN(c2ccc3[nH]cc(C(C)C)c3n2)CCN1.
What is the InChIKey of 5-[3-(2-methylpropyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is PATWFMPHKGDLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4/c1-12(2)9-14-11-22(8-7-19-14)17-6-5-16-18(21-17)15(10-20-16)13(3)4/h5-6,10,12-14,19-20H,7-9,11H2,1-4H3.
What are the key properties of 5-[3-(2-methylpropyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine?
5-[3-(2-methylpropyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 300.45 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methylpropyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 175966706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).