[3-[3,6-dimethyl-1-[(2R)-1-morpholin-4-ylbutan-2-yl]pyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine

C26H37N5O — CID 69447178

IUPAC[3-[3,6-dimethyl-1-[(2R)-1-morpholin-4-ylbutan-2-yl]pyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine
SMILESCC[C@H](CN1CCOCC1)n1cc(C)c2nc(-c3ccc(C(C)C)nc3CN)c(C)cc21
InChIInChI=1S/C26H37N5O/c1-6-20(16-30-9-11-32-12-10-30)31-15-19(5)26-24(31)13-18(4)25(29-26)21-7-8-22(17(2)3)28-23(21)14-27/h7-8,13,15,17,20H,6,9-12,14,16,27H2,1-5H3/t20-/m1/s1
InChIKeyFZLNFWYFNJWAHX-HXUWFJFHSA-N
MW435.62 g/mol
LogP4.58
Rot. Bonds7

About [3-[3,6-dimethyl-1-[(2R)-1-morpholin-4-ylbutan-2-yl]pyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine

[3-[3,6-dimethyl-1-[(2R)-1-morpholin-4-ylbutan-2-yl]pyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine (PubChem CID 69447178) has the molecular formula C26H37N5O and a molecular weight of 435.62 g/mol. Its IUPAC name is [3-[3,6-dimethyl-1-[(2R)-1-morpholin-4-ylbutan-2-yl]pyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-[3,6-dimethyl-1-[(2R)-1-morpholin-4-ylbutan-2-yl]pyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine
PubChem CID69447178
Molecular FormulaC26H37N5O
Molecular Weight435.62 g/mol
Exact Mass435.30
IUPAC Name[3-[3,6-dimethyl-1-[(2R)-1-morpholin-4-ylbutan-2-yl]pyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine
SMILESCC[C@H](CN1CCOCC1)n1cc(C)c2nc(-c3ccc(C(C)C)nc3CN)c(C)cc21
InChIInChI=1S/C26H37N5O/c1-6-20(16-30-9-11-32-12-10-30)31-15-19(5)26-24(31)13-18(4)25(29-26)21-7-8-22(17(2)3)28-23(21)14-27/h7-8,13,15,17,20H,6,9-12,14,16,27H2,1-5H3/t20-/m1/s1
InChIKeyFZLNFWYFNJWAHX-HXUWFJFHSA-N
XLogP4.58
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.62
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-[3,6-dimethyl-1-[(2R)-1-morpholin-4-ylbutan-2-yl]pyrrolo[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-[3,6-dimethyl-1-[(2R)-1-morpholin-4-ylbutan-2-yl]pyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine?
The IUPAC name of [3-[3,6-dimethyl-1-[(2R)-1-morpholin-4-ylbutan-2-yl]pyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine (CID 69447178) is [3-[3,6-dimethyl-1-[(2R)-1-morpholin-4-ylbutan-2-yl]pyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine.
What is the SMILES notation for [3-[3,6-dimethyl-1-[(2R)-1-morpholin-4-ylbutan-2-yl]pyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine?
The canonical SMILES for [3-[3,6-dimethyl-1-[(2R)-1-morpholin-4-ylbutan-2-yl]pyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine is CC[C@H](CN1CCOCC1)n1cc(C)c2nc(-c3ccc(C(C)C)nc3CN)c(C)cc21.
What is the InChIKey of [3-[3,6-dimethyl-1-[(2R)-1-morpholin-4-ylbutan-2-yl]pyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine?
The InChIKey is FZLNFWYFNJWAHX-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H37N5O/c1-6-20(16-30-9-11-32-12-10-30)31-15-19(5)26-24(31)13-18(4)25(29-26)21-7-8-22(17(2)3)28-23(21)14-27/h7-8,13,15,17,20H,6,9-12,14,16,27H2,1-5H3/t20-/m1/s1.
What are the key properties of [3-[3,6-dimethyl-1-[(2R)-1-morpholin-4-ylbutan-2-yl]pyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine?
[3-[3,6-dimethyl-1-[(2R)-1-morpholin-4-ylbutan-2-yl]pyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine has a molecular weight of 435.62 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3,6-dimethyl-1-[(2R)-1-morpholin-4-ylbutan-2-yl]pyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine is sourced from PubChem (CID 69447178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).