[3-(3-butan-2-yl-1,5-dimethylpyrrolo[2,3-b]pyridin-6-yl)-6-propan-2-yl-2-pyridinyl]methanamine

C22H30N4 — CID 69452495

IUPAC[3-(3-butan-2-yl-1,5-dimethylpyrrolo[2,3-b]pyridin-6-yl)-6-propan-2-yl-2-pyridinyl]methanamine
SMILESCCC(C)c1cn(C)c2nc(-c3ccc(C(C)C)nc3CN)c(C)cc12
InChIInChI=1S/C22H30N4/c1-7-14(4)18-12-26(6)22-17(18)10-15(5)21(25-22)16-8-9-19(13(2)3)24-20(16)11-23/h8-10,12-14H,7,11,23H2,1-6H3
InChIKeyONILGGQQKOUIRZ-UHFFFAOYSA-N
MW350.51 g/mol
LogP5.04
Rot. Bonds5

About [3-(3-butan-2-yl-1,5-dimethylpyrrolo[2,3-b]pyridin-6-yl)-6-propan-2-yl-2-pyridinyl]methanamine

[3-(3-butan-2-yl-1,5-dimethylpyrrolo[2,3-b]pyridin-6-yl)-6-propan-2-yl-2-pyridinyl]methanamine (PubChem CID 69452495) has the molecular formula C22H30N4 and a molecular weight of 350.51 g/mol. Its IUPAC name is [3-(3-butan-2-yl-1,5-dimethylpyrrolo[2,3-b]pyridin-6-yl)-6-propan-2-yl-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-(3-butan-2-yl-1,5-dimethylpyrrolo[2,3-b]pyridin-6-yl)-6-propan-2-yl-2-pyridinyl]methanamine
PubChem CID69452495
Molecular FormulaC22H30N4
Molecular Weight350.51 g/mol
Exact Mass350.25
IUPAC Name[3-(3-butan-2-yl-1,5-dimethylpyrrolo[2,3-b]pyridin-6-yl)-6-propan-2-yl-2-pyridinyl]methanamine
SMILESCCC(C)c1cn(C)c2nc(-c3ccc(C(C)C)nc3CN)c(C)cc12
InChIInChI=1S/C22H30N4/c1-7-14(4)18-12-26(6)22-17(18)10-15(5)21(25-22)16-8-9-19(13(2)3)24-20(16)11-23/h8-10,12-14H,7,11,23H2,1-6H3
InChIKeyONILGGQQKOUIRZ-UHFFFAOYSA-N
XLogP5.04
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.51
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(3-butan-2-yl-1,5-dimethylpyrrolo[2,3-b]pyridin-6-yl)-6-propan-2-yl-2-pyridinyl]methanamine?
The IUPAC name of [3-(3-butan-2-yl-1,5-dimethylpyrrolo[2,3-b]pyridin-6-yl)-6-propan-2-yl-2-pyridinyl]methanamine (CID 69452495) is [3-(3-butan-2-yl-1,5-dimethylpyrrolo[2,3-b]pyridin-6-yl)-6-propan-2-yl-2-pyridinyl]methanamine.
What is the SMILES notation for [3-(3-butan-2-yl-1,5-dimethylpyrrolo[2,3-b]pyridin-6-yl)-6-propan-2-yl-2-pyridinyl]methanamine?
The canonical SMILES for [3-(3-butan-2-yl-1,5-dimethylpyrrolo[2,3-b]pyridin-6-yl)-6-propan-2-yl-2-pyridinyl]methanamine is CCC(C)c1cn(C)c2nc(-c3ccc(C(C)C)nc3CN)c(C)cc12.
What is the InChIKey of [3-(3-butan-2-yl-1,5-dimethylpyrrolo[2,3-b]pyridin-6-yl)-6-propan-2-yl-2-pyridinyl]methanamine?
The InChIKey is ONILGGQQKOUIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4/c1-7-14(4)18-12-26(6)22-17(18)10-15(5)21(25-22)16-8-9-19(13(2)3)24-20(16)11-23/h8-10,12-14H,7,11,23H2,1-6H3.
What are the key properties of [3-(3-butan-2-yl-1,5-dimethylpyrrolo[2,3-b]pyridin-6-yl)-6-propan-2-yl-2-pyridinyl]methanamine?
[3-(3-butan-2-yl-1,5-dimethylpyrrolo[2,3-b]pyridin-6-yl)-6-propan-2-yl-2-pyridinyl]methanamine has a molecular weight of 350.51 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-butan-2-yl-1,5-dimethylpyrrolo[2,3-b]pyridin-6-yl)-6-propan-2-yl-2-pyridinyl]methanamine is sourced from PubChem (CID 69452495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).