3-chloro-N-(2-methoxyethyl)-5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine

C13H14ClN5O — CID 146568088

IUPAC3-chloro-N-(2-methoxyethyl)-5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCOCCNc1c(-c2cn[nH]c2)cnc2[nH]cc(Cl)c12
InChIInChI=1S/C13H14ClN5O/c1-20-3-2-15-12-9(8-4-18-19-5-8)6-16-13-11(12)10(14)7-17-13/h4-7H,2-3H2,1H3,(H,18,19)(H2,15,16,17)
InChIKeyNRUOWSTYDZDCTJ-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.66
Rot. Bonds5

About 3-chloro-N-(2-methoxyethyl)-5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine

3-chloro-N-(2-methoxyethyl)-5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 146568088) has the molecular formula C13H14ClN5O and a molecular weight of 291.74 g/mol. Its IUPAC name is 3-chloro-N-(2-methoxyethyl)-5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-(2-methoxyethyl)-5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
PubChem CID146568088
Molecular FormulaC13H14ClN5O
Molecular Weight291.74 g/mol
Exact Mass291.09
IUPAC Name3-chloro-N-(2-methoxyethyl)-5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCOCCNc1c(-c2cn[nH]c2)cnc2[nH]cc(Cl)c12
InChIInChI=1S/C13H14ClN5O/c1-20-3-2-15-12-9(8-4-18-19-5-8)6-16-13-11(12)10(14)7-17-13/h4-7H,2-3H2,1H3,(H,18,19)(H2,15,16,17)
InChIKeyNRUOWSTYDZDCTJ-UHFFFAOYSA-N
XLogP2.66
TPSA78.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-chloro-N-(2-methoxyethyl)-5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine 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

5-N-(2-methoxyethyl)-2-N-methyl-4-(1H-pyrazol-4-yl)-2-N-pyrimidin-2-yl-1,3-thiazole-2,5-diamine
CID 66668784
[4-[4-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 146565174
3-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-ol
CID 53412635
5-chloro-N-(2-methoxyethyl)-2,1,3-benzothiadiazol-4-amine
CID 65474285
5-(4-bromo-2-chlorophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine
CID 82781603
4-(1H-pyrazol-4-yl)-1H-pyrazole
CID 2422340
6-chloro-N-(2-methoxyethyl)-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 154972841
4-(aminomethyl)-N-(2-methoxyethyl)pyrimidin-2-amine
CID 107541939
6-(2-methoxyethylamino)-1H-pyrimidine-4-thione
CID 82457110
methyl 5-bromo-6-chloro-4-(2-methoxyethylamino)pyridine-3-carboxylate
CID 172868847
3-chloro-2-methyl-5-(1H-pyrazol-4-yl)pyridine
CID 118358480
[4-ethyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]methanamine
CID 67403554

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methoxyethyl)-5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of 3-chloro-N-(2-methoxyethyl)-5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine (CID 146568088) is 3-chloro-N-(2-methoxyethyl)-5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for 3-chloro-N-(2-methoxyethyl)-5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for 3-chloro-N-(2-methoxyethyl)-5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine is COCCNc1c(-c2cn[nH]c2)cnc2[nH]cc(Cl)c12.
What is the InChIKey of 3-chloro-N-(2-methoxyethyl)-5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is NRUOWSTYDZDCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O/c1-20-3-2-15-12-9(8-4-18-19-5-8)6-16-13-11(12)10(14)7-17-13/h4-7H,2-3H2,1H3,(H,18,19)(H2,15,16,17).
What are the key properties of 3-chloro-N-(2-methoxyethyl)-5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
3-chloro-N-(2-methoxyethyl)-5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 291.74 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methoxyethyl)-5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 146568088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).