tert-butyl 3-[4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]pyridin-1-yl]propanoate

C19H28N4O2 — CID 145252260

IUPACtert-butyl 3-[4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]pyridin-1-yl]propanoate
SMILESCN1CCN(c2nccc3c2ccn3CCC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H28N4O2/c1-19(2,3)25-17(24)7-10-22-9-6-15-16(22)5-8-20-18(15)23-13-11-21(4)12-14-23/h5-6,8-9H,7,10-14H2,1-4H3
InChIKeyQMMPKIRNOUZITE-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.52
Rot. Bonds4

About tert-butyl 3-[4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]pyridin-1-yl]propanoate

tert-butyl 3-[4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]pyridin-1-yl]propanoate (PubChem CID 145252260) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is tert-butyl 3-[4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]pyridin-1-yl]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]pyridin-1-yl]propanoate
PubChem CID145252260
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Nametert-butyl 3-[4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]pyridin-1-yl]propanoate
SMILESCN1CCN(c2nccc3c2ccn3CCC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H28N4O2/c1-19(2,3)25-17(24)7-10-22-9-6-15-16(22)5-8-20-18(15)23-13-11-21(4)12-14-23/h5-6,8-9H,7,10-14H2,1-4H3
InChIKeyQMMPKIRNOUZITE-UHFFFAOYSA-N
XLogP2.52
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]pyridin-1-yl]propanoate?
The IUPAC name of tert-butyl 3-[4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]pyridin-1-yl]propanoate (CID 145252260) is tert-butyl 3-[4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]pyridin-1-yl]propanoate.
What is the SMILES notation for tert-butyl 3-[4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]pyridin-1-yl]propanoate?
The canonical SMILES for tert-butyl 3-[4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]pyridin-1-yl]propanoate is CN1CCN(c2nccc3c2ccn3CCC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 3-[4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]pyridin-1-yl]propanoate?
The InChIKey is QMMPKIRNOUZITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-19(2,3)25-17(24)7-10-22-9-6-15-16(22)5-8-20-18(15)23-13-11-21(4)12-14-23/h5-6,8-9H,7,10-14H2,1-4H3.
What are the key properties of tert-butyl 3-[4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]pyridin-1-yl]propanoate?
tert-butyl 3-[4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]pyridin-1-yl]propanoate has a molecular weight of 344.46 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]pyridin-1-yl]propanoate is sourced from PubChem (CID 145252260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).