1-[6-[6-amino-5-(methyliminomethyl)-3-pyridinyl]thieno[2,3-b]pyridin-2-yl]-3-fluorocyclobutan-1-ol

C18H17FN4OS — CID 172582348

IUPAC1-[6-[6-amino-5-(methyliminomethyl)-3-pyridinyl]thieno[2,3-b]pyridin-2-yl]-3-fluorocyclobutan-1-ol
SMILESC/N=C/c1cc(-c2ccc3cc(C4(O)CC(F)C4)sc3n2)cnc1N
InChIInChI=1S/C18H17FN4OS/c1-21-8-12-4-11(9-22-16(12)20)14-3-2-10-5-15(25-17(10)23-14)18(24)6-13(19)7-18/h2-5,8-9,13,24H,6-7H2,1H3,(H2,20,22)/b21-8+
InChIKeyCPZDZMNAMIXCHC-ODCIPOBUSA-N
MW356.43 g/mol
LogP3.31
Rot. Bonds3

About 1-[6-[6-amino-5-(methyliminomethyl)-3-pyridinyl]thieno[2,3-b]pyridin-2-yl]-3-fluorocyclobutan-1-ol

1-[6-[6-amino-5-(methyliminomethyl)-3-pyridinyl]thieno[2,3-b]pyridin-2-yl]-3-fluorocyclobutan-1-ol (PubChem CID 172582348) has the molecular formula C18H17FN4OS and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[6-[6-amino-5-(methyliminomethyl)-3-pyridinyl]thieno[2,3-b]pyridin-2-yl]-3-fluorocyclobutan-1-ol.

Molecular Properties

Compound Name1-[6-[6-amino-5-(methyliminomethyl)-3-pyridinyl]thieno[2,3-b]pyridin-2-yl]-3-fluorocyclobutan-1-ol
PubChem CID172582348
Molecular FormulaC18H17FN4OS
Molecular Weight356.43 g/mol
Exact Mass356.11
IUPAC Name1-[6-[6-amino-5-(methyliminomethyl)-3-pyridinyl]thieno[2,3-b]pyridin-2-yl]-3-fluorocyclobutan-1-ol
SMILESC/N=C/c1cc(-c2ccc3cc(C4(O)CC(F)C4)sc3n2)cnc1N
InChIInChI=1S/C18H17FN4OS/c1-21-8-12-4-11(9-22-16(12)20)14-3-2-10-5-15(25-17(10)23-14)18(24)6-13(19)7-18/h2-5,8-9,13,24H,6-7H2,1H3,(H2,20,22)/b21-8+
InChIKeyCPZDZMNAMIXCHC-ODCIPOBUSA-N
XLogP3.31
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[6-[6-amino-5-(methyliminomethyl)-3-pyridinyl]thieno[2,3-b]pyridin-2-yl]-3-fluorocyclobutan-1-ol with MolForge

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Related Compounds

2-[4-[[(11,13-Dimethyl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)amino]methyl]phenyl]propan-2-ol
CID 141760866
1-[6-(2-Methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-3-(trifluoromethyl)cyclobutan-1-ol
CID 172542130
5-[6-(2-Methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]spiro[2.3]hexan-5-ol
CID 172542222
3,3-Dimethyl-1-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol
CID 172542572
[4-Amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-fluoro-3-pyridinyl)methanol
CID 59278013
2-[2-[2-[(S)-amino-(6-aminopyridin-2-yl)methyl]-1-benzothiophen-7-yl]pyridin-4-yl]-1,1,1-trifluoropropan-2-ol
CID 89906514
2-[2-[2-[(R)-amino-(6-aminopyridin-2-yl)methyl]-1-benzothiophen-7-yl]pyridin-4-yl]-1,1,1-trifluoropropan-2-ol
CID 89906612
2-[2-[2-[(2-Amino-5-chloro-3-fluoro-4-pyridinyl)methyl]-1-benzothiophen-7-yl]-4-pyridinyl]propan-2-ol
CID 123228682
2-[2-[2-[(6-Amino-3-chloro-5-fluoro-2-pyridinyl)methyl]-1-benzothiophen-7-yl]-4-pyridinyl]propan-2-ol
CID 123325567
2-[4-[[(3,5-Dimethyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-10-yl)amino]methyl]-3-fluorophenyl]propan-2-ol
CID 138700240
2-[4-[[(3,5-Dimethyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-10-yl)amino]methyl]-2-fluorophenyl]propan-2-ol
CID 138700271
2-[4-[[(5-Cyclopropyl-3-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-10-yl)amino]methyl]-2-fluorophenyl]propan-2-ol
CID 138700336

Frequently Asked Questions

What is the IUPAC name of 1-[6-[6-amino-5-(methyliminomethyl)-3-pyridinyl]thieno[2,3-b]pyridin-2-yl]-3-fluorocyclobutan-1-ol?
The IUPAC name of 1-[6-[6-amino-5-(methyliminomethyl)-3-pyridinyl]thieno[2,3-b]pyridin-2-yl]-3-fluorocyclobutan-1-ol (CID 172582348) is 1-[6-[6-amino-5-(methyliminomethyl)-3-pyridinyl]thieno[2,3-b]pyridin-2-yl]-3-fluorocyclobutan-1-ol.
What is the SMILES notation for 1-[6-[6-amino-5-(methyliminomethyl)-3-pyridinyl]thieno[2,3-b]pyridin-2-yl]-3-fluorocyclobutan-1-ol?
The canonical SMILES for 1-[6-[6-amino-5-(methyliminomethyl)-3-pyridinyl]thieno[2,3-b]pyridin-2-yl]-3-fluorocyclobutan-1-ol is C/N=C/c1cc(-c2ccc3cc(C4(O)CC(F)C4)sc3n2)cnc1N.
What is the InChIKey of 1-[6-[6-amino-5-(methyliminomethyl)-3-pyridinyl]thieno[2,3-b]pyridin-2-yl]-3-fluorocyclobutan-1-ol?
The InChIKey is CPZDZMNAMIXCHC-ODCIPOBUSA-N. The full InChI is InChI=1S/C18H17FN4OS/c1-21-8-12-4-11(9-22-16(12)20)14-3-2-10-5-15(25-17(10)23-14)18(24)6-13(19)7-18/h2-5,8-9,13,24H,6-7H2,1H3,(H2,20,22)/b21-8+.
What are the key properties of 1-[6-[6-amino-5-(methyliminomethyl)-3-pyridinyl]thieno[2,3-b]pyridin-2-yl]-3-fluorocyclobutan-1-ol?
1-[6-[6-amino-5-(methyliminomethyl)-3-pyridinyl]thieno[2,3-b]pyridin-2-yl]-3-fluorocyclobutan-1-ol has a molecular weight of 356.43 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[6-amino-5-(methyliminomethyl)-3-pyridinyl]thieno[2,3-b]pyridin-2-yl]-3-fluorocyclobutan-1-ol is sourced from PubChem (CID 172582348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).