(4-methylpiperazin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone

C13H16N4O — CID 57392460

IUPAC(4-methylpiperazin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone
SMILESCN1CCN(C(=O)c2cc3cccnc3[nH]2)CC1
InChIInChI=1S/C13H16N4O/c1-16-5-7-17(8-6-16)13(18)11-9-10-3-2-4-14-12(10)15-11/h2-4,9H,5-8H2,1H3,(H,14,15)
InChIKeyMKMUUKGWFRDCJE-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.95
Rot. Bonds1

About (4-methylpiperazin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone

(4-methylpiperazin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone (PubChem CID 57392460) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone
PubChem CID57392460
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name(4-methylpiperazin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone
SMILESCN1CCN(C(=O)c2cc3cccnc3[nH]2)CC1
InChIInChI=1S/C13H16N4O/c1-16-5-7-17(8-6-16)13(18)11-9-10-3-2-4-14-12(10)15-11/h2-4,9H,5-8H2,1H3,(H,14,15)
InChIKeyMKMUUKGWFRDCJE-UHFFFAOYSA-N
XLogP0.95
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone (CID 57392460) is (4-methylpiperazin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone is CN1CCN(C(=O)c2cc3cccnc3[nH]2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone?
The InChIKey is MKMUUKGWFRDCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-16-5-7-17(8-6-16)13(18)11-9-10-3-2-4-14-12(10)15-11/h2-4,9H,5-8H2,1H3,(H,14,15).
What are the key properties of (4-methylpiperazin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone?
(4-methylpiperazin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone has a molecular weight of 244.30 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone is sourced from PubChem (CID 57392460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).