6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine

C18H20ClN5O — CID 66556276

IUPAC6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine
SMILESCN(CC1CCOCC1)c1cncc(-c2cnc3[nH]cc(Cl)c3c2)n1
InChIInChI=1S/C18H20ClN5O/c1-24(11-12-2-4-25-5-3-12)17-10-20-9-16(23-17)13-6-14-15(19)8-22-18(14)21-7-13/h6-10,12H,2-5,11H2,1H3,(H,21,22)
InChIKeyNDVXCFKKQCYUBY-UHFFFAOYSA-N
MW357.85 g/mol
LogP3.54
Rot. Bonds4

About 6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine

6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine (PubChem CID 66556276) has the molecular formula C18H20ClN5O and a molecular weight of 357.85 g/mol. Its IUPAC name is 6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine
PubChem CID66556276
Molecular FormulaC18H20ClN5O
Molecular Weight357.85 g/mol
Exact Mass357.14
IUPAC Name6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine
SMILESCN(CC1CCOCC1)c1cncc(-c2cnc3[nH]cc(Cl)c3c2)n1
InChIInChI=1S/C18H20ClN5O/c1-24(11-12-2-4-25-5-3-12)17-10-20-9-16(23-17)13-6-14-15(19)8-22-18(14)21-7-13/h6-10,12H,2-5,11H2,1H3,(H,21,22)
InChIKeyNDVXCFKKQCYUBY-UHFFFAOYSA-N
XLogP3.54
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.85
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine?
The IUPAC name of 6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine (CID 66556276) is 6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine.
What is the SMILES notation for 6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine?
The canonical SMILES for 6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine is CN(CC1CCOCC1)c1cncc(-c2cnc3[nH]cc(Cl)c3c2)n1.
What is the InChIKey of 6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine?
The InChIKey is NDVXCFKKQCYUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O/c1-24(11-12-2-4-25-5-3-12)17-10-20-9-16(23-17)13-6-14-15(19)8-22-18(14)21-7-13/h6-10,12H,2-5,11H2,1H3,(H,21,22).
What are the key properties of 6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine?
6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine has a molecular weight of 357.85 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine is sourced from PubChem (CID 66556276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).