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

C19H20N4O4S — CID 118246512

IUPACethyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate
SMILESCCOC(=O)Nc1cc(-c2cnc(C)c3c2ccn3S(=O)(=O)C2CC2)ccn1
InChIInChI=1S/C19H20N4O4S/c1-3-27-19(24)22-17-10-13(6-8-20-17)16-11-21-12(2)18-15(16)7-9-23(18)28(25,26)14-4-5-14/h6-11,14H,3-5H2,1-2H3,(H,20,22,24)
InChIKeyDAWCHWMDBXCRBX-UHFFFAOYSA-N
MW400.46 g/mol
LogP3.32
Rot. Bonds5

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

ethyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate (PubChem CID 118246512) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is ethyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate
PubChem CID118246512
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Nameethyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate
SMILESCCOC(=O)Nc1cc(-c2cnc(C)c3c2ccn3S(=O)(=O)C2CC2)ccn1
InChIInChI=1S/C19H20N4O4S/c1-3-27-19(24)22-17-10-13(6-8-20-17)16-11-21-12(2)18-15(16)7-9-23(18)28(25,26)14-4-5-14/h6-11,14H,3-5H2,1-2H3,(H,20,22,24)
InChIKeyDAWCHWMDBXCRBX-UHFFFAOYSA-N
XLogP3.32
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate?
The IUPAC name of ethyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate (CID 118246512) is ethyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate is CCOC(=O)Nc1cc(-c2cnc(C)c3c2ccn3S(=O)(=O)C2CC2)ccn1.
What is the InChIKey of ethyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate?
The InChIKey is DAWCHWMDBXCRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-3-27-19(24)22-17-10-13(6-8-20-17)16-11-21-12(2)18-15(16)7-9-23(18)28(25,26)14-4-5-14/h6-11,14H,3-5H2,1-2H3,(H,20,22,24).
What are the key properties of ethyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate?
ethyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate has a molecular weight of 400.46 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate is sourced from PubChem (CID 118246512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).