5-chloro-N-[(2-fluorophenyl)methyl]-2-[(2R)-oxan-2-yl]thieno[3,2-b]pyridin-7-amine

C19H18ClFN2OS — CID 170644359

IUPAC5-chloro-N-[(2-fluorophenyl)methyl]-2-[(2R)-oxan-2-yl]thieno[3,2-b]pyridin-7-amine
SMILESFc1ccccc1CNc1cc(Cl)nc2cc([C@H]3CCCCO3)sc12
InChIInChI=1S/C19H18ClFN2OS/c20-18-10-14(22-11-12-5-1-2-6-13(12)21)19-15(23-18)9-17(25-19)16-7-3-4-8-24-16/h1-2,5-6,9-10,16H,3-4,7-8,11H2,(H,22,23)/t16-/m1/s1
InChIKeyXMQRGKALOSIKAP-MRXNPFEDSA-N
MW376.88 g/mol
LogP5.94
Rot. Bonds4

About 5-chloro-N-[(2-fluorophenyl)methyl]-2-[(2R)-oxan-2-yl]thieno[3,2-b]pyridin-7-amine

5-chloro-N-[(2-fluorophenyl)methyl]-2-[(2R)-oxan-2-yl]thieno[3,2-b]pyridin-7-amine (PubChem CID 170644359) has the molecular formula C19H18ClFN2OS and a molecular weight of 376.88 g/mol. Its IUPAC name is 5-chloro-N-[(2-fluorophenyl)methyl]-2-[(2R)-oxan-2-yl]thieno[3,2-b]pyridin-7-amine.

Molecular Properties

Compound Name5-chloro-N-[(2-fluorophenyl)methyl]-2-[(2R)-oxan-2-yl]thieno[3,2-b]pyridin-7-amine
PubChem CID170644359
Molecular FormulaC19H18ClFN2OS
Molecular Weight376.88 g/mol
Exact Mass376.08
IUPAC Name5-chloro-N-[(2-fluorophenyl)methyl]-2-[(2R)-oxan-2-yl]thieno[3,2-b]pyridin-7-amine
SMILESFc1ccccc1CNc1cc(Cl)nc2cc([C@H]3CCCCO3)sc12
InChIInChI=1S/C19H18ClFN2OS/c20-18-10-14(22-11-12-5-1-2-6-13(12)21)19-15(23-18)9-17(25-19)16-7-3-4-8-24-16/h1-2,5-6,9-10,16H,3-4,7-8,11H2,(H,22,23)/t16-/m1/s1
InChIKeyXMQRGKALOSIKAP-MRXNPFEDSA-N
XLogP5.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.88
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-chloro-N-[(2-fluorophenyl)methyl]-2-[(2R)-oxan-2-yl]thieno[3,2-b]pyridin-7-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

2-[(2R,3R)-3-aminooxan-2-yl]-3-bromo-5-chloro-N-[(2-fluorophenyl)methyl]thieno[3,2-b]pyridin-7-amine
CID 170644407
N-benzyl-3-bromo-5-chloro-2-[(2R)-oxan-2-yl]thieno[3,2-b]pyridin-7-amine
CID 170644152
N-benzyl-5-chloro-3-methyl-2-(oxan-2-yl)thieno[3,2-b]pyridin-7-amine;ethane
CID 170644363
5-chloro-3-ethynyl-N-[(2-fluorophenyl)methyl]thieno[3,2-b]pyridin-7-amine
CID 170644962
2-[(1S,6S)-6-aminocyclohex-3-en-1-yl]-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 170643799
N-[(2-fluorophenyl)methyl]cyclopentanamine
CID 1080487
6-N-[(2-fluorophenyl)methyl]-4-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880618
2,3-difluoro-N-[(2-fluorophenyl)methyl]aniline
CID 61075368
2-[(2-fluorophenyl)methyl]oxane
CID 20724373
2-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyridin-3-amine
CID 114050780
N-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-2-(3,4,5-trifluorophenyl)aniline
CID 99636640
N-[(2-fluorophenyl)methyl]cycloheptanamine
CID 4719917

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-fluorophenyl)methyl]-2-[(2R)-oxan-2-yl]thieno[3,2-b]pyridin-7-amine?
The IUPAC name of 5-chloro-N-[(2-fluorophenyl)methyl]-2-[(2R)-oxan-2-yl]thieno[3,2-b]pyridin-7-amine (CID 170644359) is 5-chloro-N-[(2-fluorophenyl)methyl]-2-[(2R)-oxan-2-yl]thieno[3,2-b]pyridin-7-amine.
What is the SMILES notation for 5-chloro-N-[(2-fluorophenyl)methyl]-2-[(2R)-oxan-2-yl]thieno[3,2-b]pyridin-7-amine?
The canonical SMILES for 5-chloro-N-[(2-fluorophenyl)methyl]-2-[(2R)-oxan-2-yl]thieno[3,2-b]pyridin-7-amine is Fc1ccccc1CNc1cc(Cl)nc2cc([C@H]3CCCCO3)sc12.
What is the InChIKey of 5-chloro-N-[(2-fluorophenyl)methyl]-2-[(2R)-oxan-2-yl]thieno[3,2-b]pyridin-7-amine?
The InChIKey is XMQRGKALOSIKAP-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H18ClFN2OS/c20-18-10-14(22-11-12-5-1-2-6-13(12)21)19-15(23-18)9-17(25-19)16-7-3-4-8-24-16/h1-2,5-6,9-10,16H,3-4,7-8,11H2,(H,22,23)/t16-/m1/s1.
What are the key properties of 5-chloro-N-[(2-fluorophenyl)methyl]-2-[(2R)-oxan-2-yl]thieno[3,2-b]pyridin-7-amine?
5-chloro-N-[(2-fluorophenyl)methyl]-2-[(2R)-oxan-2-yl]thieno[3,2-b]pyridin-7-amine has a molecular weight of 376.88 g/mol, XLogP of 5.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-fluorophenyl)methyl]-2-[(2R)-oxan-2-yl]thieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 170644359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).