methyl N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate

C17H16N4O4S — CID 118246572

IUPACmethyl N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1cc(-c2cncc3c2ccn3S(=O)(=O)C2CC2)ccn1
InChIInChI=1S/C17H16N4O4S/c1-25-17(22)20-16-8-11(4-6-19-16)14-9-18-10-15-13(14)5-7-21(15)26(23,24)12-2-3-12/h4-10,12H,2-3H2,1H3,(H,19,20,22)
InChIKeyXMHAVEXGTPFWSO-UHFFFAOYSA-N
MW372.41 g/mol
LogP2.62
Rot. Bonds4

About methyl N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate

methyl N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate (PubChem CID 118246572) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is methyl N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate
PubChem CID118246572
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC Namemethyl N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1cc(-c2cncc3c2ccn3S(=O)(=O)C2CC2)ccn1
InChIInChI=1S/C17H16N4O4S/c1-25-17(22)20-16-8-11(4-6-19-16)14-9-18-10-15-13(14)5-7-21(15)26(23,24)12-2-3-12/h4-10,12H,2-3H2,1H3,(H,19,20,22)
InChIKeyXMHAVEXGTPFWSO-UHFFFAOYSA-N
XLogP2.62
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate?
The IUPAC name of methyl N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate (CID 118246572) is methyl N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate?
The canonical SMILES for methyl N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate is COC(=O)Nc1cc(-c2cncc3c2ccn3S(=O)(=O)C2CC2)ccn1.
What is the InChIKey of methyl N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate?
The InChIKey is XMHAVEXGTPFWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S/c1-25-17(22)20-16-8-11(4-6-19-16)14-9-18-10-15-13(14)5-7-21(15)26(23,24)12-2-3-12/h4-10,12H,2-3H2,1H3,(H,19,20,22).
What are the key properties of methyl N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate?
methyl N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate has a molecular weight of 372.41 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate is sourced from PubChem (CID 118246572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).