(1-methylpyrrolo[3,2-c]pyridin-7-yl)-morpholin-4-ylmethanone

C13H15N3O2 — CID 141133622

IUPAC(1-methylpyrrolo[3,2-c]pyridin-7-yl)-morpholin-4-ylmethanone
SMILESCn1ccc2cncc(C(=O)N3CCOCC3)c21
InChIInChI=1S/C13H15N3O2/c1-15-3-2-10-8-14-9-11(12(10)15)13(17)16-4-6-18-7-5-16/h2-3,8-9H,4-7H2,1H3
InChIKeyXHAKSFRBOYQUIB-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.05
Rot. Bonds1

About (1-methylpyrrolo[3,2-c]pyridin-7-yl)-morpholin-4-ylmethanone

(1-methylpyrrolo[3,2-c]pyridin-7-yl)-morpholin-4-ylmethanone (PubChem CID 141133622) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is (1-methylpyrrolo[3,2-c]pyridin-7-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(1-methylpyrrolo[3,2-c]pyridin-7-yl)-morpholin-4-ylmethanone
PubChem CID141133622
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name(1-methylpyrrolo[3,2-c]pyridin-7-yl)-morpholin-4-ylmethanone
SMILESCn1ccc2cncc(C(=O)N3CCOCC3)c21
InChIInChI=1S/C13H15N3O2/c1-15-3-2-10-8-14-9-11(12(10)15)13(17)16-4-6-18-7-5-16/h2-3,8-9H,4-7H2,1H3
InChIKeyXHAKSFRBOYQUIB-UHFFFAOYSA-N
XLogP1.05
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrolo[3,2-c]pyridin-7-yl)-morpholin-4-ylmethanone?
The IUPAC name of (1-methylpyrrolo[3,2-c]pyridin-7-yl)-morpholin-4-ylmethanone (CID 141133622) is (1-methylpyrrolo[3,2-c]pyridin-7-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (1-methylpyrrolo[3,2-c]pyridin-7-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (1-methylpyrrolo[3,2-c]pyridin-7-yl)-morpholin-4-ylmethanone is Cn1ccc2cncc(C(=O)N3CCOCC3)c21.
What is the InChIKey of (1-methylpyrrolo[3,2-c]pyridin-7-yl)-morpholin-4-ylmethanone?
The InChIKey is XHAKSFRBOYQUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-15-3-2-10-8-14-9-11(12(10)15)13(17)16-4-6-18-7-5-16/h2-3,8-9H,4-7H2,1H3.
What are the key properties of (1-methylpyrrolo[3,2-c]pyridin-7-yl)-morpholin-4-ylmethanone?
(1-methylpyrrolo[3,2-c]pyridin-7-yl)-morpholin-4-ylmethanone has a molecular weight of 245.28 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrolo[3,2-c]pyridin-7-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 141133622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).