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

C22H30N4O — CID 69461238

IUPAC[3-[1-[(2S)-1-methoxypropan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine
SMILESCOC[C@H](C)n1cc(C)c2nc(-c3ccc(C(C)C)nc3CN)c(C)cc21
InChIInChI=1S/C22H30N4O/c1-13(2)18-8-7-17(19(10-23)24-18)21-14(3)9-20-22(25-21)15(4)11-26(20)16(5)12-27-6/h7-9,11,13,16H,10,12,23H2,1-6H3/t16-/m0/s1
InChIKeyAFQXYUNZKPUCOY-INIZCTEOSA-N
MW366.51 g/mol
LogP4.50
Rot. Bonds6

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

[3-[1-[(2S)-1-methoxypropan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine (PubChem CID 69461238) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is [3-[1-[(2S)-1-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-[(2S)-1-methoxypropan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine
PubChem CID69461238
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name[3-[1-[(2S)-1-methoxypropan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine
SMILESCOC[C@H](C)n1cc(C)c2nc(-c3ccc(C(C)C)nc3CN)c(C)cc21
InChIInChI=1S/C22H30N4O/c1-13(2)18-8-7-17(19(10-23)24-18)21-14(3)9-20-22(25-21)15(4)11-26(20)16(5)12-27-6/h7-9,11,13,16H,10,12,23H2,1-6H3/t16-/m0/s1
InChIKeyAFQXYUNZKPUCOY-INIZCTEOSA-N
XLogP4.50
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[1-[(2S)-1-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-[(2S)-1-methoxypropan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine (CID 69461238) is [3-[1-[(2S)-1-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-[(2S)-1-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-[(2S)-1-methoxypropan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine is COC[C@H](C)n1cc(C)c2nc(-c3ccc(C(C)C)nc3CN)c(C)cc21.
What is the InChIKey of [3-[1-[(2S)-1-methoxypropan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine?
The InChIKey is AFQXYUNZKPUCOY-INIZCTEOSA-N. The full InChI is InChI=1S/C22H30N4O/c1-13(2)18-8-7-17(19(10-23)24-18)21-14(3)9-20-22(25-21)15(4)11-26(20)16(5)12-27-6/h7-9,11,13,16H,10,12,23H2,1-6H3/t16-/m0/s1.
What are the key properties of [3-[1-[(2S)-1-methoxypropan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine?
[3-[1-[(2S)-1-methoxypropan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine has a molecular weight of 366.51 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-[(2S)-1-methoxypropan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine is sourced from PubChem (CID 69461238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).