[2-dimethylphosphoryl-4-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanol

C18H21N2O2P — CID 155462244

IUPAC[2-dimethylphosphoryl-4-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanol
SMILESCCc1c[nH]c2ncc(-c3ccc(CO)c(P(C)(C)=O)c3)cc12
InChIInChI=1S/C18H21N2O2P/c1-4-12-9-19-18-16(12)7-15(10-20-18)13-5-6-14(11-21)17(8-13)23(2,3)22/h5-10,21H,4,11H2,1-3H3,(H,19,20)
InChIKeyYRXVIDRILZDXPR-UHFFFAOYSA-N
MW328.35 g/mol
LogP3.53
Rot. Bonds4

About [2-dimethylphosphoryl-4-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanol

[2-dimethylphosphoryl-4-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanol (PubChem CID 155462244) has the molecular formula C18H21N2O2P and a molecular weight of 328.35 g/mol. Its IUPAC name is [2-dimethylphosphoryl-4-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-dimethylphosphoryl-4-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanol
PubChem CID155462244
Molecular FormulaC18H21N2O2P
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name[2-dimethylphosphoryl-4-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanol
SMILESCCc1c[nH]c2ncc(-c3ccc(CO)c(P(C)(C)=O)c3)cc12
InChIInChI=1S/C18H21N2O2P/c1-4-12-9-19-18-16(12)7-15(10-20-18)13-5-6-14(11-21)17(8-13)23(2,3)22/h5-10,21H,4,11H2,1-3H3,(H,19,20)
InChIKeyYRXVIDRILZDXPR-UHFFFAOYSA-N
XLogP3.53
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-dimethylphosphoryl-5-methylphenyl)-3-ethyl-1H-pyrrolo[2,3-b]pyridine
CID 155462281
4-(2-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-dimethylphosphorylaniline
CID 155462053
3-ethyl-5-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 166275142
2-[[5-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)furan-2-carbonyl]amino]acetic acid
CID 166379250
2-[5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide
CID 134806364
3-ethyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 134232979
3-ethyl-5-(7-methoxy-1H-indazol-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 166398526
5-[3-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-hydroxybenzamide
CID 44554851
3-(2-ethylphenyl)-5-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 59700061
4-[3-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one
CID 59699815
N-[4-[3-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]thiohydroxylamine
CID 88967745
2-ethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
CID 45271705

Frequently Asked Questions

What is the IUPAC name of [2-dimethylphosphoryl-4-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanol?
The IUPAC name of [2-dimethylphosphoryl-4-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanol (CID 155462244) is [2-dimethylphosphoryl-4-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanol.
What is the SMILES notation for [2-dimethylphosphoryl-4-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanol?
The canonical SMILES for [2-dimethylphosphoryl-4-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanol is CCc1c[nH]c2ncc(-c3ccc(CO)c(P(C)(C)=O)c3)cc12.
What is the InChIKey of [2-dimethylphosphoryl-4-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanol?
The InChIKey is YRXVIDRILZDXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N2O2P/c1-4-12-9-19-18-16(12)7-15(10-20-18)13-5-6-14(11-21)17(8-13)23(2,3)22/h5-10,21H,4,11H2,1-3H3,(H,19,20).
What are the key properties of [2-dimethylphosphoryl-4-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanol?
[2-dimethylphosphoryl-4-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanol has a molecular weight of 328.35 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-dimethylphosphoryl-4-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanol is sourced from PubChem (CID 155462244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).