(6-chloro-2-methyl-3-pyridinyl)-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol

C17H18ClN3O3 — CID 146499638

IUPAC(6-chloro-2-methyl-3-pyridinyl)-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESCOCCOc1cnc2[nH]cc(C(O)c3ccc(Cl)nc3C)c2c1
InChIInChI=1S/C17H18ClN3O3/c1-10-12(3-4-15(18)21-10)16(22)14-9-20-17-13(14)7-11(8-19-17)24-6-5-23-2/h3-4,7-9,16,22H,5-6H2,1-2H3,(H,19,20)
InChIKeySPOCHTIVVOGXNM-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.03
Rot. Bonds6

About (6-chloro-2-methyl-3-pyridinyl)-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol

(6-chloro-2-methyl-3-pyridinyl)-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol (PubChem CID 146499638) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is (6-chloro-2-methyl-3-pyridinyl)-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol.

Molecular Properties

Compound Name(6-chloro-2-methyl-3-pyridinyl)-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol
PubChem CID146499638
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name(6-chloro-2-methyl-3-pyridinyl)-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESCOCCOc1cnc2[nH]cc(C(O)c3ccc(Cl)nc3C)c2c1
InChIInChI=1S/C17H18ClN3O3/c1-10-12(3-4-15(18)21-10)16(22)14-9-20-17-13(14)7-11(8-19-17)24-6-5-23-2/h3-4,7-9,16,22H,5-6H2,1-2H3,(H,19,20)
InChIKeySPOCHTIVVOGXNM-UHFFFAOYSA-N
XLogP3.03
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (6-chloro-2-methyl-3-pyridinyl)-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-2-[[6-(3-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 162651768
2-(3-chloro-4-ethoxyphenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 44341223
2-[(4-chlorophenoxy)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine
CID 10473554
(2-Chloro-benzyl)-[6-fluoro-5-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-pyridin-2-yl]-amine
CID 52933299
N-[(4-chlorophenyl)methyl]-6-fluoro-5-[(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
CID 52933545
4-(3-methoxy-2-pyridinyl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 86294325
4-[3-chloro-6-(pyridin-3-ylmethoxy)-2-pyridinyl]-2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 90411966
2-[4-(4-chloro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5,5-dimethylmorpholine
CID 90412166
US9796708, Example 817
CID 118897205
[1-[(3-Chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanol
CID 118714144
5-[5-[(2,4-dichlorophenyl)methoxy]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine
CID 145991992
5-methoxy-6-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
CID 86293960

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-methyl-3-pyridinyl)-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol?
The IUPAC name of (6-chloro-2-methyl-3-pyridinyl)-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol (CID 146499638) is (6-chloro-2-methyl-3-pyridinyl)-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol.
What is the SMILES notation for (6-chloro-2-methyl-3-pyridinyl)-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol?
The canonical SMILES for (6-chloro-2-methyl-3-pyridinyl)-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol is COCCOc1cnc2[nH]cc(C(O)c3ccc(Cl)nc3C)c2c1.
What is the InChIKey of (6-chloro-2-methyl-3-pyridinyl)-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol?
The InChIKey is SPOCHTIVVOGXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-10-12(3-4-15(18)21-10)16(22)14-9-20-17-13(14)7-11(8-19-17)24-6-5-23-2/h3-4,7-9,16,22H,5-6H2,1-2H3,(H,19,20).
What are the key properties of (6-chloro-2-methyl-3-pyridinyl)-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol?
(6-chloro-2-methyl-3-pyridinyl)-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol has a molecular weight of 347.80 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-methyl-3-pyridinyl)-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol is sourced from PubChem (CID 146499638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).