4-[[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C18H18N8O — CID 59291925

IUPAC4-[[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESN#Cc1ccc(N2CCC(Nc3c(C(N)=O)cnc4[nH]ccc34)CC2)nn1
InChIInChI=1S/C18H18N8O/c19-9-12-1-2-15(25-24-12)26-7-4-11(5-8-26)23-16-13-3-6-21-18(13)22-10-14(16)17(20)27/h1-3,6,10-11H,4-5,7-8H2,(H2,20,27)(H2,21,22,23)
InChIKeyWEAYOCOHYLCUOF-UHFFFAOYSA-N
MW362.40 g/mol
LogP1.40
Rot. Bonds4

About 4-[[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

4-[[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 59291925) has the molecular formula C18H18N8O and a molecular weight of 362.40 g/mol. Its IUPAC name is 4-[[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-[[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID59291925
Molecular FormulaC18H18N8O
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Name4-[[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESN#Cc1ccc(N2CCC(Nc3c(C(N)=O)cnc4[nH]ccc34)CC2)nn1
InChIInChI=1S/C18H18N8O/c19-9-12-1-2-15(25-24-12)26-7-4-11(5-8-26)23-16-13-3-6-21-18(13)22-10-14(16)17(20)27/h1-3,6,10-11H,4-5,7-8H2,(H2,20,27)(H2,21,22,23)
InChIKeyWEAYOCOHYLCUOF-UHFFFAOYSA-N
XLogP1.40
TPSA136.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-[[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 59291925) is 4-[[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-[[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-[[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is N#Cc1ccc(N2CCC(Nc3c(C(N)=O)cnc4[nH]ccc34)CC2)nn1.
What is the InChIKey of 4-[[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is WEAYOCOHYLCUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8O/c19-9-12-1-2-15(25-24-12)26-7-4-11(5-8-26)23-16-13-3-6-21-18(13)22-10-14(16)17(20)27/h1-3,6,10-11H,4-5,7-8H2,(H2,20,27)(H2,21,22,23).
What are the key properties of 4-[[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
4-[[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 362.40 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 59291925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).