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

C18H18N4O4S — CID 118246527

IUPACN-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]-2-hydroxyacetamide
SMILESCc1ncc(-c2ccnc(NC(=O)CO)c2)c2ccn(S(=O)(=O)C3CC3)c12
InChIInChI=1S/C18H18N4O4S/c1-11-18-14(5-7-22(18)27(25,26)13-2-3-13)15(9-20-11)12-4-6-19-16(8-12)21-17(24)10-23/h4-9,13,23H,2-3,10H2,1H3,(H,19,21,24)
InChIKeyUKXYMMAYQZHFHI-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.68
Rot. Bonds5

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

N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]-2-hydroxyacetamide (PubChem CID 118246527) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]-2-hydroxyacetamide
PubChem CID118246527
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC NameN-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]-2-hydroxyacetamide
SMILESCc1ncc(-c2ccnc(NC(=O)CO)c2)c2ccn(S(=O)(=O)C3CC3)c12
InChIInChI=1S/C18H18N4O4S/c1-11-18-14(5-7-22(18)27(25,26)13-2-3-13)15(9-20-11)12-4-6-19-16(8-12)21-17(24)10-23/h4-9,13,23H,2-3,10H2,1H3,(H,19,21,24)
InChIKeyUKXYMMAYQZHFHI-UHFFFAOYSA-N
XLogP1.68
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]-2-hydroxyacetamide?
The IUPAC name of N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]-2-hydroxyacetamide (CID 118246527) is N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]-2-hydroxyacetamide?
The canonical SMILES for N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]-2-hydroxyacetamide is Cc1ncc(-c2ccnc(NC(=O)CO)c2)c2ccn(S(=O)(=O)C3CC3)c12.
What is the InChIKey of N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]-2-hydroxyacetamide?
The InChIKey is UKXYMMAYQZHFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c1-11-18-14(5-7-22(18)27(25,26)13-2-3-13)15(9-20-11)12-4-6-19-16(8-12)21-17(24)10-23/h4-9,13,23H,2-3,10H2,1H3,(H,19,21,24).
What are the key properties of N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]-2-hydroxyacetamide?
N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]-2-hydroxyacetamide has a molecular weight of 386.43 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]-2-hydroxyacetamide is sourced from PubChem (CID 118246527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).