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

C17H18N4O4S — CID 137482648

IUPACmethyl N-[4-(1-propan-2-ylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1cc(-c2cncc3c2ccn3S(=O)(=O)C(C)C)ccn1
InChIInChI=1S/C17H18N4O4S/c1-11(2)26(23,24)21-7-5-13-14(9-18-10-15(13)21)12-4-6-19-16(8-12)20-17(22)25-3/h4-11H,1-3H3,(H,19,20,22)
InChIKeyLQVDJPSXTHQYBA-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.86
Rot. Bonds4

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

methyl N-[4-(1-propan-2-ylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate (PubChem CID 137482648) has the molecular formula C17H18N4O4S and a molecular weight of 374.42 g/mol. Its IUPAC name is methyl N-[4-(1-propan-2-ylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(1-propan-2-ylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate
PubChem CID137482648
Molecular FormulaC17H18N4O4S
Molecular Weight374.42 g/mol
Exact Mass374.10
IUPAC Namemethyl N-[4-(1-propan-2-ylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1cc(-c2cncc3c2ccn3S(=O)(=O)C(C)C)ccn1
InChIInChI=1S/C17H18N4O4S/c1-11(2)26(23,24)21-7-5-13-14(9-18-10-15(13)21)12-4-6-19-16(8-12)20-17(22)25-3/h4-11H,1-3H3,(H,19,20,22)
InChIKeyLQVDJPSXTHQYBA-UHFFFAOYSA-N
XLogP2.86
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.86
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-propan-2-ylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate?
The IUPAC name of methyl N-[4-(1-propan-2-ylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate (CID 137482648) is methyl N-[4-(1-propan-2-ylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[4-(1-propan-2-ylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate?
The canonical SMILES for methyl N-[4-(1-propan-2-ylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate is COC(=O)Nc1cc(-c2cncc3c2ccn3S(=O)(=O)C(C)C)ccn1.
What is the InChIKey of methyl N-[4-(1-propan-2-ylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate?
The InChIKey is LQVDJPSXTHQYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S/c1-11(2)26(23,24)21-7-5-13-14(9-18-10-15(13)21)12-4-6-19-16(8-12)20-17(22)25-3/h4-11H,1-3H3,(H,19,20,22).
What are the key properties of methyl N-[4-(1-propan-2-ylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate?
methyl N-[4-(1-propan-2-ylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate has a molecular weight of 374.42 g/mol, XLogP of 2.86, 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-propan-2-ylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate is sourced from PubChem (CID 137482648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).