7-N-(2-methoxyethyl)-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine

C14H17N5OS — CID 162785002

IUPAC7-N-(2-methoxyethyl)-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
SMILESCOCCNc1cc(N)nc2c(C)c(-c3ccn[nH]3)sc12
InChIInChI=1S/C14H17N5OS/c1-8-12-14(21-13(8)9-3-4-17-19-9)10(7-11(15)18-12)16-5-6-20-2/h3-4,7H,5-6H2,1-2H3,(H,17,19)(H3,15,16,18)
InChIKeyFSQRTMLIQTXPSE-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.64
Rot. Bonds5

About 7-N-(2-methoxyethyl)-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine

7-N-(2-methoxyethyl)-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine (PubChem CID 162785002) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 7-N-(2-methoxyethyl)-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine.

Molecular Properties

Compound Name7-N-(2-methoxyethyl)-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
PubChem CID162785002
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name7-N-(2-methoxyethyl)-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
SMILESCOCCNc1cc(N)nc2c(C)c(-c3ccn[nH]3)sc12
InChIInChI=1S/C14H17N5OS/c1-8-12-14(21-13(8)9-3-4-17-19-9)10(7-11(15)18-12)16-5-6-20-2/h3-4,7H,5-6H2,1-2H3,(H,17,19)(H3,15,16,18)
InChIKeyFSQRTMLIQTXPSE-UHFFFAOYSA-N
XLogP2.64
TPSA88.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[5-amino-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide
CID 162784975
3-chloro-7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 162784876
7-N-(1-methoxypropan-2-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 162785025
7-N-(2-methylpropyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 162785048
3-[[2-amino-6-methoxy-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-1-ol
CID 137417584
7-N-[(3-methyloxetan-3-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 162784965
2,4-dimethyl-5-(1H-pyrazol-5-yl)-1,3-thiazole
CID 2805447
2-[[2-amino-7-(1H-pyrazol-5-yl)-1,5-naphthyridin-4-yl]amino]ethanol
CID 154649473
4-N-(2-methoxyethyl)pyrimidine-2,4,6-triamine
CID 80766455
8-fluoro-7-(1H-pyrazol-5-yl)-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine
CID 154649572
2-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 83695203
2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol
CID 166905459

Frequently Asked Questions

What is the IUPAC name of 7-N-(2-methoxyethyl)-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?
The IUPAC name of 7-N-(2-methoxyethyl)-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine (CID 162785002) is 7-N-(2-methoxyethyl)-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine.
What is the SMILES notation for 7-N-(2-methoxyethyl)-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?
The canonical SMILES for 7-N-(2-methoxyethyl)-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine is COCCNc1cc(N)nc2c(C)c(-c3ccn[nH]3)sc12.
What is the InChIKey of 7-N-(2-methoxyethyl)-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?
The InChIKey is FSQRTMLIQTXPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-8-12-14(21-13(8)9-3-4-17-19-9)10(7-11(15)18-12)16-5-6-20-2/h3-4,7H,5-6H2,1-2H3,(H,17,19)(H3,15,16,18).
What are the key properties of 7-N-(2-methoxyethyl)-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?
7-N-(2-methoxyethyl)-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine has a molecular weight of 303.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(2-methoxyethyl)-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine is sourced from PubChem (CID 162785002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).