4-[(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)methyl]phenol

C15H15N3O — CID 114331386

IUPAC4-[(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)methyl]phenol
SMILESOc1ccc(CNCc2c[nH]c3ncccc23)cc1
InChIInChI=1S/C15H15N3O/c19-13-5-3-11(4-6-13)8-16-9-12-10-18-15-14(12)2-1-7-17-15/h1-7,10,16,19H,8-9H2,(H,17,18)
InChIKeyBULFJMJPRPELFC-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.56
Rot. Bonds4

About 4-[(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)methyl]phenol

4-[(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)methyl]phenol (PubChem CID 114331386) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-[(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)methyl]phenol.

Molecular Properties

Compound Name4-[(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)methyl]phenol
PubChem CID114331386
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name4-[(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)methyl]phenol
SMILESOc1ccc(CNCc2c[nH]c3ncccc23)cc1
InChIInChI=1S/C15H15N3O/c19-13-5-3-11(4-6-13)8-16-9-12-10-18-15-14(12)2-1-7-17-15/h1-7,10,16,19H,8-9H2,(H,17,18)
InChIKeyBULFJMJPRPELFC-UHFFFAOYSA-N
XLogP2.56
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)methyl]phenol with MolForge

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Related Compounds

1-(4-propan-2-ylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
CID 66414097
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
4-[[(5-bromoquinolin-8-yl)methylamino]methyl]phenol
CID 115968064
2-pyridin-3-yl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 66416226
1-(2-methylpyrimidin-4-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
CID 66413703
1-(5-bromothiophen-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
CID 66416040
N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propanamide
CID 66414096
4-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pentan-2-ol
CID 107151609
2-(1H-indol-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 59506885
1-(4,5-dimethylthiophen-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
CID 66415887
N-[[4-(dimethylamino)phenyl]methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53144486
N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)acetamide
CID 66414448

Frequently Asked Questions

What is the IUPAC name of 4-[(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)methyl]phenol?
The IUPAC name of 4-[(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)methyl]phenol (CID 114331386) is 4-[(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)methyl]phenol.
What is the SMILES notation for 4-[(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)methyl]phenol?
The canonical SMILES for 4-[(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)methyl]phenol is Oc1ccc(CNCc2c[nH]c3ncccc23)cc1.
What is the InChIKey of 4-[(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)methyl]phenol?
The InChIKey is BULFJMJPRPELFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c19-13-5-3-11(4-6-13)8-16-9-12-10-18-15-14(12)2-1-7-17-15/h1-7,10,16,19H,8-9H2,(H,17,18).
What are the key properties of 4-[(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)methyl]phenol?
4-[(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)methyl]phenol has a molecular weight of 253.31 g/mol, XLogP of 2.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)methyl]phenol is sourced from PubChem (CID 114331386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).