5-[3-[(2-methylpropylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]pentan-1-ol

C17H27N3O — CID 66413411

IUPAC5-[3-[(2-methylpropylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]pentan-1-ol
SMILESCC(C)CNCc1cn(CCCCCO)c2ncccc12
InChIInChI=1S/C17H27N3O/c1-14(2)11-18-12-15-13-20(9-4-3-5-10-21)17-16(15)7-6-8-19-17/h6-8,13-14,18,21H,3-5,9-12H2,1-2H3
InChIKeyGUZJZKHHBGEXNB-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.94
Rot. Bonds9

About 5-[3-[(2-methylpropylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]pentan-1-ol

5-[3-[(2-methylpropylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]pentan-1-ol (PubChem CID 66413411) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 5-[3-[(2-methylpropylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]pentan-1-ol.

Molecular Properties

Compound Name5-[3-[(2-methylpropylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]pentan-1-ol
PubChem CID66413411
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name5-[3-[(2-methylpropylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]pentan-1-ol
SMILESCC(C)CNCc1cn(CCCCCO)c2ncccc12
InChIInChI=1S/C17H27N3O/c1-14(2)11-18-12-15-13-20(9-4-3-5-10-21)17-16(15)7-6-8-19-17/h6-8,13-14,18,21H,3-5,9-12H2,1-2H3
InChIKeyGUZJZKHHBGEXNB-UHFFFAOYSA-N
XLogP2.94
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2-methylpropylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]pentan-1-ol?
The IUPAC name of 5-[3-[(2-methylpropylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]pentan-1-ol (CID 66413411) is 5-[3-[(2-methylpropylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]pentan-1-ol.
What is the SMILES notation for 5-[3-[(2-methylpropylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]pentan-1-ol?
The canonical SMILES for 5-[3-[(2-methylpropylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]pentan-1-ol is CC(C)CNCc1cn(CCCCCO)c2ncccc12.
What is the InChIKey of 5-[3-[(2-methylpropylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]pentan-1-ol?
The InChIKey is GUZJZKHHBGEXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14(2)11-18-12-15-13-20(9-4-3-5-10-21)17-16(15)7-6-8-19-17/h6-8,13-14,18,21H,3-5,9-12H2,1-2H3.
What are the key properties of 5-[3-[(2-methylpropylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]pentan-1-ol?
5-[3-[(2-methylpropylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]pentan-1-ol has a molecular weight of 289.42 g/mol, XLogP of 2.94, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2-methylpropylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]pentan-1-ol is sourced from PubChem (CID 66413411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).