2-(2-aminopropyl)-5-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-3-methylthieno[3,2-b]pyridin-7-amine

C17H18ClFN4S — CID 175365847

IUPAC2-(2-aminopropyl)-5-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-3-methylthieno[3,2-b]pyridin-7-amine
SMILESCc1c(CC(C)N)sc2c(NCc3ccncc3F)cc(Cl)nc12
InChIInChI=1S/C17H18ClFN4S/c1-9(20)5-14-10(2)16-17(24-14)13(6-15(18)23-16)22-7-11-3-4-21-8-12(11)19/h3-4,6,8-9H,5,7,20H2,1-2H3,(H,22,23)
InChIKeyFZFKSRREPQEGAM-UHFFFAOYSA-N
MW364.88 g/mol
LogP4.29
Rot. Bonds5

About 2-(2-aminopropyl)-5-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-3-methylthieno[3,2-b]pyridin-7-amine

2-(2-aminopropyl)-5-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-3-methylthieno[3,2-b]pyridin-7-amine (PubChem CID 175365847) has the molecular formula C17H18ClFN4S and a molecular weight of 364.88 g/mol. Its IUPAC name is 2-(2-aminopropyl)-5-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-3-methylthieno[3,2-b]pyridin-7-amine.

Molecular Properties

Compound Name2-(2-aminopropyl)-5-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-3-methylthieno[3,2-b]pyridin-7-amine
PubChem CID175365847
Molecular FormulaC17H18ClFN4S
Molecular Weight364.88 g/mol
Exact Mass364.09
IUPAC Name2-(2-aminopropyl)-5-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-3-methylthieno[3,2-b]pyridin-7-amine
SMILESCc1c(CC(C)N)sc2c(NCc3ccncc3F)cc(Cl)nc12
InChIInChI=1S/C17H18ClFN4S/c1-9(20)5-14-10(2)16-17(24-14)13(6-15(18)23-16)22-7-11-3-4-21-8-12(11)19/h3-4,6,8-9H,5,7,20H2,1-2H3,(H,22,23)
InChIKeyFZFKSRREPQEGAM-UHFFFAOYSA-N
XLogP4.29
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-aminopropyl)-5-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-3-methylthieno[3,2-b]pyridin-7-amine with MolForge

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Related Compounds

3,5-dichloro-N-[(3-fluoro-4-pyridinyl)methyl]thieno[3,2-b]pyridin-7-amine
CID 170644333
2-[(2S)-2-aminobutyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 162390977
2-[(2S)-2-amino-4-fluorobutyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine
CID 162390990
2-(2-aminopropyl)-5-chloro-N-(furan-2-ylmethyl)-3-methoxythieno[3,2-b]pyridin-7-amine;dihydrochloride
CID 175189837
2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride
CID 162391096
2-[(2R)-2-amino-3-isocyanopropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine
CID 164755990
2-(aminomethyl)-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 155066343
(2S)-2-amino-1-[3,5-dichloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[(2S,3R)-2-amino-3-fluorobutyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R,3S)-2-amino-3-fluorobutyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-1-fluoropropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-N-[(5-fluoro-1,3-thiazol-2-yl)methyl]-3-methylthieno[3,2-b]pyridin-7-amine
CID 165013836
bis(2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine);2-[(2R)-2-amino-3-fluoropropyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-methylpentyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 165101466
(2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]-N-(3-chlorophenyl)propanamide;hydrochloride
CID 162390857
2-[(1S)-1-aminoethyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride
CID 162390915
6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1,3-thiazol-5-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 164865954

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-5-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-3-methylthieno[3,2-b]pyridin-7-amine?
The IUPAC name of 2-(2-aminopropyl)-5-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-3-methylthieno[3,2-b]pyridin-7-amine (CID 175365847) is 2-(2-aminopropyl)-5-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-3-methylthieno[3,2-b]pyridin-7-amine.
What is the SMILES notation for 2-(2-aminopropyl)-5-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-3-methylthieno[3,2-b]pyridin-7-amine?
The canonical SMILES for 2-(2-aminopropyl)-5-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-3-methylthieno[3,2-b]pyridin-7-amine is Cc1c(CC(C)N)sc2c(NCc3ccncc3F)cc(Cl)nc12.
What is the InChIKey of 2-(2-aminopropyl)-5-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-3-methylthieno[3,2-b]pyridin-7-amine?
The InChIKey is FZFKSRREPQEGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN4S/c1-9(20)5-14-10(2)16-17(24-14)13(6-15(18)23-16)22-7-11-3-4-21-8-12(11)19/h3-4,6,8-9H,5,7,20H2,1-2H3,(H,22,23).
What are the key properties of 2-(2-aminopropyl)-5-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-3-methylthieno[3,2-b]pyridin-7-amine?
2-(2-aminopropyl)-5-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-3-methylthieno[3,2-b]pyridin-7-amine has a molecular weight of 364.88 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-5-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-3-methylthieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 175365847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).