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

C24H34N4O — CID 69435818

IUPAC[3-[1-[(2S)-1-ethoxybutan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine
SMILESCCOC[C@H](CC)n1cc(C)c2nc(-c3ccc(C(C)C)nc3CN)c(C)cc21
InChIInChI=1S/C24H34N4O/c1-7-18(14-29-8-2)28-13-17(6)24-22(28)11-16(5)23(27-24)19-9-10-20(15(3)4)26-21(19)12-25/h9-11,13,15,18H,7-8,12,14,25H2,1-6H3/t18-/m0/s1
InChIKeyOFIFYBNWBRZGMU-SFHVURJKSA-N
MW394.56 g/mol
LogP5.28
Rot. Bonds8

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

[3-[1-[(2S)-1-ethoxybutan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine (PubChem CID 69435818) has the molecular formula C24H34N4O and a molecular weight of 394.56 g/mol. Its IUPAC name is [3-[1-[(2S)-1-ethoxybutan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-[1-[(2S)-1-ethoxybutan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine
PubChem CID69435818
Molecular FormulaC24H34N4O
Molecular Weight394.56 g/mol
Exact Mass394.27
IUPAC Name[3-[1-[(2S)-1-ethoxybutan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine
SMILESCCOC[C@H](CC)n1cc(C)c2nc(-c3ccc(C(C)C)nc3CN)c(C)cc21
InChIInChI=1S/C24H34N4O/c1-7-18(14-29-8-2)28-13-17(6)24-22(28)11-16(5)23(27-24)19-9-10-20(15(3)4)26-21(19)12-25/h9-11,13,15,18H,7-8,12,14,25H2,1-6H3/t18-/m0/s1
InChIKeyOFIFYBNWBRZGMU-SFHVURJKSA-N
XLogP5.28
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[1-[(2S)-1-ethoxybutan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[1-[(2S)-1-ethoxybutan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine?
The IUPAC name of [3-[1-[(2S)-1-ethoxybutan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine (CID 69435818) is [3-[1-[(2S)-1-ethoxybutan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine.
What is the SMILES notation for [3-[1-[(2S)-1-ethoxybutan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine?
The canonical SMILES for [3-[1-[(2S)-1-ethoxybutan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine is CCOC[C@H](CC)n1cc(C)c2nc(-c3ccc(C(C)C)nc3CN)c(C)cc21.
What is the InChIKey of [3-[1-[(2S)-1-ethoxybutan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine?
The InChIKey is OFIFYBNWBRZGMU-SFHVURJKSA-N. The full InChI is InChI=1S/C24H34N4O/c1-7-18(14-29-8-2)28-13-17(6)24-22(28)11-16(5)23(27-24)19-9-10-20(15(3)4)26-21(19)12-25/h9-11,13,15,18H,7-8,12,14,25H2,1-6H3/t18-/m0/s1.
What are the key properties of [3-[1-[(2S)-1-ethoxybutan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine?
[3-[1-[(2S)-1-ethoxybutan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine has a molecular weight of 394.56 g/mol, XLogP of 5.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-[(2S)-1-ethoxybutan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine is sourced from PubChem (CID 69435818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).