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

C22H29FN4O — CID 69454232

IUPAC[3-[1-[(2R)-1-fluoro-3-methoxypropan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine
SMILESCOC[C@H](CF)n1cc(C)c2nc(-c3ccc(C(C)C)nc3CN)c(C)cc21
InChIInChI=1S/C22H29FN4O/c1-13(2)18-7-6-17(19(10-24)25-18)21-14(3)8-20-22(26-21)15(4)11-27(20)16(9-23)12-28-5/h6-8,11,13,16H,9-10,12,24H2,1-5H3/t16-/m0/s1
InChIKeyGSABNYXQPGBPCT-INIZCTEOSA-N
MW384.50 g/mol
LogP4.45
Rot. Bonds7

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

[3-[1-[(2R)-1-fluoro-3-methoxypropan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine (PubChem CID 69454232) has the molecular formula C22H29FN4O and a molecular weight of 384.50 g/mol. Its IUPAC name is [3-[1-[(2R)-1-fluoro-3-methoxypropan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-[1-[(2R)-1-fluoro-3-methoxypropan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine
PubChem CID69454232
Molecular FormulaC22H29FN4O
Molecular Weight384.50 g/mol
Exact Mass384.23
IUPAC Name[3-[1-[(2R)-1-fluoro-3-methoxypropan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine
SMILESCOC[C@H](CF)n1cc(C)c2nc(-c3ccc(C(C)C)nc3CN)c(C)cc21
InChIInChI=1S/C22H29FN4O/c1-13(2)18-7-6-17(19(10-24)25-18)21-14(3)8-20-22(26-21)15(4)11-27(20)16(9-23)12-28-5/h6-8,11,13,16H,9-10,12,24H2,1-5H3/t16-/m0/s1
InChIKeyGSABNYXQPGBPCT-INIZCTEOSA-N
XLogP4.45
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[1-[(2R)-1-fluoro-3-methoxypropan-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-[(2R)-1-fluoro-3-methoxypropan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine?
The IUPAC name of [3-[1-[(2R)-1-fluoro-3-methoxypropan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine (CID 69454232) is [3-[1-[(2R)-1-fluoro-3-methoxypropan-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-[(2R)-1-fluoro-3-methoxypropan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine?
The canonical SMILES for [3-[1-[(2R)-1-fluoro-3-methoxypropan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine is COC[C@H](CF)n1cc(C)c2nc(-c3ccc(C(C)C)nc3CN)c(C)cc21.
What is the InChIKey of [3-[1-[(2R)-1-fluoro-3-methoxypropan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine?
The InChIKey is GSABNYXQPGBPCT-INIZCTEOSA-N. The full InChI is InChI=1S/C22H29FN4O/c1-13(2)18-7-6-17(19(10-24)25-18)21-14(3)8-20-22(26-21)15(4)11-27(20)16(9-23)12-28-5/h6-8,11,13,16H,9-10,12,24H2,1-5H3/t16-/m0/s1.
What are the key properties of [3-[1-[(2R)-1-fluoro-3-methoxypropan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine?
[3-[1-[(2R)-1-fluoro-3-methoxypropan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine has a molecular weight of 384.50 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-[(2R)-1-fluoro-3-methoxypropan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine is sourced from PubChem (CID 69454232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).