[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamic acid

C17H16N4O4S — CID 118240829

IUPAC[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamic acid
SMILESCc1ncc(-c2ccnc(NC(=O)O)c2)c2ccn(S(=O)(=O)C3CC3)c12
InChIInChI=1S/C17H16N4O4S/c1-10-16-13(5-7-21(16)26(24,25)12-2-3-12)14(9-19-10)11-4-6-18-15(8-11)20-17(22)23/h4-9,12H,2-3H2,1H3,(H,18,20)(H,22,23)
InChIKeyHWWKWOZXSCYDIQ-UHFFFAOYSA-N
MW372.41 g/mol
LogP2.84
Rot. Bonds4

About [4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamic acid

[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamic acid (PubChem CID 118240829) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is [4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamic acid
PubChem CID118240829
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC Name[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamic acid
SMILESCc1ncc(-c2ccnc(NC(=O)O)c2)c2ccn(S(=O)(=O)C3CC3)c12
InChIInChI=1S/C17H16N4O4S/c1-10-16-13(5-7-21(16)26(24,25)12-2-3-12)14(9-19-10)11-4-6-18-15(8-11)20-17(22)23/h4-9,12H,2-3H2,1H3,(H,18,20)(H,22,23)
InChIKeyHWWKWOZXSCYDIQ-UHFFFAOYSA-N
XLogP2.84
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamic acid?
The IUPAC name of [4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamic acid (CID 118240829) is [4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamic acid.
What is the SMILES notation for [4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamic acid?
The canonical SMILES for [4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamic acid is Cc1ncc(-c2ccnc(NC(=O)O)c2)c2ccn(S(=O)(=O)C3CC3)c12.
What is the InChIKey of [4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamic acid?
The InChIKey is HWWKWOZXSCYDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S/c1-10-16-13(5-7-21(16)26(24,25)12-2-3-12)14(9-19-10)11-4-6-18-15(8-11)20-17(22)23/h4-9,12H,2-3H2,1H3,(H,18,20)(H,22,23).
What are the key properties of [4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamic acid?
[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamic acid has a molecular weight of 372.41 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamic acid is sourced from PubChem (CID 118240829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).