methyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate

C18H18N4O4S — CID 118246531

IUPACmethyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1cc(-c2cnc(C)c3c2ccn3S(=O)(=O)C2CC2)ccn1
InChIInChI=1S/C18H18N4O4S/c1-11-17-14(6-8-22(17)27(24,25)13-3-4-13)15(10-20-11)12-5-7-19-16(9-12)21-18(23)26-2/h5-10,13H,3-4H2,1-2H3,(H,19,21,23)
InChIKeyVUSNPOFSXVYESN-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.93
Rot. Bonds4

About methyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate

methyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate (PubChem CID 118246531) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is methyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate
PubChem CID118246531
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC Namemethyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1cc(-c2cnc(C)c3c2ccn3S(=O)(=O)C2CC2)ccn1
InChIInChI=1S/C18H18N4O4S/c1-11-17-14(6-8-22(17)27(24,25)13-3-4-13)15(10-20-11)12-5-7-19-16(9-12)21-18(23)26-2/h5-10,13H,3-4H2,1-2H3,(H,19,21,23)
InChIKeyVUSNPOFSXVYESN-UHFFFAOYSA-N
XLogP2.93
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.93
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-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate?
The IUPAC name of methyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate (CID 118246531) is methyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate?
The canonical SMILES for methyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate is COC(=O)Nc1cc(-c2cnc(C)c3c2ccn3S(=O)(=O)C2CC2)ccn1.
What is the InChIKey of methyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate?
The InChIKey is VUSNPOFSXVYESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c1-11-17-14(6-8-22(17)27(24,25)13-3-4-13)15(10-20-11)12-5-7-19-16(9-12)21-18(23)26-2/h5-10,13H,3-4H2,1-2H3,(H,19,21,23).
What are the key properties of methyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate?
methyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate has a molecular weight of 386.43 g/mol, XLogP of 2.93, 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-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate is sourced from PubChem (CID 118246531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).