N-[3-[[5-amino-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide

C17H22N6OS — CID 162784975

IUPACN-[3-[[5-amino-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide
SMILESCC(=O)N(C)CCCNc1cc(N)nc2c(C)c(-c3ccn[nH]3)sc12
InChIInChI=1S/C17H22N6OS/c1-10-15-17(25-16(10)12-5-7-20-22-12)13(9-14(18)21-15)19-6-4-8-23(3)11(2)24/h5,7,9H,4,6,8H2,1-3H3,(H,20,22)(H3,18,19,21)
InChIKeyMWQRGKIUAMEWPA-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.86
Rot. Bonds6

About N-[3-[[5-amino-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide

N-[3-[[5-amino-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide (PubChem CID 162784975) has the molecular formula C17H22N6OS and a molecular weight of 358.47 g/mol. Its IUPAC name is N-[3-[[5-amino-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[3-[[5-amino-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide
PubChem CID162784975
Molecular FormulaC17H22N6OS
Molecular Weight358.47 g/mol
Exact Mass358.16
IUPAC NameN-[3-[[5-amino-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide
SMILESCC(=O)N(C)CCCNc1cc(N)nc2c(C)c(-c3ccn[nH]3)sc12
InChIInChI=1S/C17H22N6OS/c1-10-15-17(25-16(10)12-5-7-20-22-12)13(9-14(18)21-15)19-6-4-8-23(3)11(2)24/h5,7,9H,4,6,8H2,1-3H3,(H,20,22)(H3,18,19,21)
InChIKeyMWQRGKIUAMEWPA-UHFFFAOYSA-N
XLogP2.86
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.86
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

7-N-(2-methylpropyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 162785048
2-[[2-amino-7-(1H-pyrazol-5-yl)-1,5-naphthyridin-4-yl]amino]ethanol
CID 154649473
1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-4-methylpiperidin-4-ol
CID 154684721
4-N-[2-[amino-[(Z)-2-aminoprop-1-enyl]amino]ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
CID 142517047
3-[[2-amino-6-methoxy-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-1-ol
CID 137417584
N-[3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide
CID 154684745
7-N-[2-[[amino(methyl)amino]methyl]but-3-enyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 166905401
2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol
CID 166905459
N-(2-aminoethyl)-N-methylpropanamide;N-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-N-methylpropanamide;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;N-[2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]ethyl]-N-methylpropanamide
CID 163697771
8-fluoro-7-(1H-pyrazol-5-yl)-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine
CID 154649572
N-methyl-N-[3-(methylamino)propyl]acetamide
CID 23084468
2,4-dimethyl-5-(1H-pyrazol-5-yl)-1,3-thiazole
CID 2805447

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-amino-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide?
The IUPAC name of N-[3-[[5-amino-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide (CID 162784975) is N-[3-[[5-amino-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide.
What is the SMILES notation for N-[3-[[5-amino-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide?
The canonical SMILES for N-[3-[[5-amino-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide is CC(=O)N(C)CCCNc1cc(N)nc2c(C)c(-c3ccn[nH]3)sc12.
What is the InChIKey of N-[3-[[5-amino-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide?
The InChIKey is MWQRGKIUAMEWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6OS/c1-10-15-17(25-16(10)12-5-7-20-22-12)13(9-14(18)21-15)19-6-4-8-23(3)11(2)24/h5,7,9H,4,6,8H2,1-3H3,(H,20,22)(H3,18,19,21).
What are the key properties of N-[3-[[5-amino-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide?
N-[3-[[5-amino-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide has a molecular weight of 358.47 g/mol, XLogP of 2.86, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-amino-3-methyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide is sourced from PubChem (CID 162784975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).