N-[4-[6-(ethylsulfonylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide

C18H19N5O3S — CID 138561591

IUPACN-[4-[6-(ethylsulfonylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
SMILESCCS(=O)(=O)Nc1ccc(-c2cc(NC(=O)C3CC3)nc3[nH]ccc23)cn1
InChIInChI=1S/C18H19N5O3S/c1-2-27(25,26)23-15-6-5-12(10-20-15)14-9-16(22-18(24)11-3-4-11)21-17-13(14)7-8-19-17/h5-11H,2-4H2,1H3,(H,20,23)(H2,19,21,22,24)
InChIKeyICPZYWRTRGOTQH-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.73
Rot. Bonds6

About N-[4-[6-(ethylsulfonylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide

N-[4-[6-(ethylsulfonylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (PubChem CID 138561591) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[4-[6-(ethylsulfonylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[6-(ethylsulfonylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
PubChem CID138561591
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC NameN-[4-[6-(ethylsulfonylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
SMILESCCS(=O)(=O)Nc1ccc(-c2cc(NC(=O)C3CC3)nc3[nH]ccc23)cn1
InChIInChI=1S/C18H19N5O3S/c1-2-27(25,26)23-15-6-5-12(10-20-15)14-9-16(22-18(24)11-3-4-11)21-17-13(14)7-8-19-17/h5-11H,2-4H2,1H3,(H,20,23)(H2,19,21,22,24)
InChIKeyICPZYWRTRGOTQH-UHFFFAOYSA-N
XLogP2.73
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(ethylsulfonylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[6-(ethylsulfonylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (CID 138561591) is N-[4-[6-(ethylsulfonylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[6-(ethylsulfonylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[6-(ethylsulfonylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is CCS(=O)(=O)Nc1ccc(-c2cc(NC(=O)C3CC3)nc3[nH]ccc23)cn1.
What is the InChIKey of N-[4-[6-(ethylsulfonylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The InChIKey is ICPZYWRTRGOTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-2-27(25,26)23-15-6-5-12(10-20-15)14-9-16(22-18(24)11-3-4-11)21-17-13(14)7-8-19-17/h5-11H,2-4H2,1H3,(H,20,23)(H2,19,21,22,24).
What are the key properties of N-[4-[6-(ethylsulfonylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
N-[4-[6-(ethylsulfonylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide has a molecular weight of 385.45 g/mol, XLogP of 2.73, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(ethylsulfonylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 138561591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).