2-[(1R,2R)-2-aminocyclohexyl]-5-chloro-3-prop-1-ynyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;formic acid

C22H24ClN3O2S2 — CID 175972039

IUPAC2-[(1R,2R)-2-aminocyclohexyl]-5-chloro-3-prop-1-ynyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;formic acid
SMILESCC#Cc1c([C@@H]2CCCC[C@H]2N)sc2c(NCc3cccs3)cc(Cl)nc12.O=CO
InChIInChI=1S/C21H22ClN3S2.CH2O2/c1-2-6-15-19-21(27-20(15)14-8-3-4-9-16(14)23)17(11-18(22)25-19)24-12-13-7-5-10-26-13;2-1-3/h5,7,10-11,14,16H,3-4,8-9,12,23H2,1H3,(H,24,25);1H,(H,2,3)/t14-,16-;/m1./s1
InChIKeyUAMWTXMEXOFONO-VNYZMKMESA-N
MW462.04 g/mol
LogP5.68
Rot. Bonds4

About 2-[(1R,2R)-2-aminocyclohexyl]-5-chloro-3-prop-1-ynyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;formic acid

2-[(1R,2R)-2-aminocyclohexyl]-5-chloro-3-prop-1-ynyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;formic acid (PubChem CID 175972039) has the molecular formula C22H24ClN3O2S2 and a molecular weight of 462.04 g/mol. Its IUPAC name is 2-[(1R,2R)-2-aminocyclohexyl]-5-chloro-3-prop-1-ynyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;formic acid.

Molecular Properties

Compound Name2-[(1R,2R)-2-aminocyclohexyl]-5-chloro-3-prop-1-ynyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;formic acid
PubChem CID175972039
Molecular FormulaC22H24ClN3O2S2
Molecular Weight462.04 g/mol
Exact Mass461.10
IUPAC Name2-[(1R,2R)-2-aminocyclohexyl]-5-chloro-3-prop-1-ynyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;formic acid
SMILESCC#Cc1c([C@@H]2CCCC[C@H]2N)sc2c(NCc3cccs3)cc(Cl)nc12.O=CO
InChIInChI=1S/C21H22ClN3S2.CH2O2/c1-2-6-15-19-21(27-20(15)14-8-3-4-9-16(14)23)17(11-18(22)25-19)24-12-13-7-5-10-26-13;2-1-3/h5,7,10-11,14,16H,3-4,8-9,12,23H2,1H3,(H,24,25);1H,(H,2,3)/t14-,16-;/m1./s1
InChIKeyUAMWTXMEXOFONO-VNYZMKMESA-N
XLogP5.68
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.04
LogP ≤ 55.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(1R,2R)-2-aminocyclohexyl]-5-chloro-3-prop-1-ynyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;formic acid 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-[(1R,2R)-2-aminocyclohexyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 170643905
2-[(1R,2S)-2-aminocyclohexyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 170644511
2-[(1R,2S)-2-aminocycloheptyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 170643902
2-[(1R,2R)-2-aminocyclopentyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 170644885
2-(2-aminocycloheptyl)-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 170644658
2-[(1S,2S)-2-aminocyclohexyl]-5-chloro-3-phenyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 170644789
2-[(3R,4S)-3-aminooxan-4-yl]-5-chloro-3-ethenyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;formic acid
CID 175971942
2-[(1R,2R)-2-amino-5,5-dimethylcyclohexyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;formic acid
CID 175971932
(1R,2R,3S)-2-amino-3-[3,5-dichloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]cyclohexan-1-ol
CID 170644733
2-[(2R,3R)-3-aminopiperidin-2-yl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 170644022
(2S)-5-[2-[(1S,6S)-6-aminocyclohex-3-en-1-yl]-5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-3-yl]pent-4-yne-1,2-diol
CID 170644958
4-[2-[(2S,3S)-3-aminooxan-2-yl]-5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-3-yl]but-3-yn-1-ol;2,2,2-trifluoroacetic acid
CID 175971894

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R)-2-aminocyclohexyl]-5-chloro-3-prop-1-ynyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;formic acid?
The IUPAC name of 2-[(1R,2R)-2-aminocyclohexyl]-5-chloro-3-prop-1-ynyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;formic acid (CID 175972039) is 2-[(1R,2R)-2-aminocyclohexyl]-5-chloro-3-prop-1-ynyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;formic acid.
What is the SMILES notation for 2-[(1R,2R)-2-aminocyclohexyl]-5-chloro-3-prop-1-ynyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;formic acid?
The canonical SMILES for 2-[(1R,2R)-2-aminocyclohexyl]-5-chloro-3-prop-1-ynyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;formic acid is CC#Cc1c([C@@H]2CCCC[C@H]2N)sc2c(NCc3cccs3)cc(Cl)nc12.O=CO.
What is the InChIKey of 2-[(1R,2R)-2-aminocyclohexyl]-5-chloro-3-prop-1-ynyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;formic acid?
The InChIKey is UAMWTXMEXOFONO-VNYZMKMESA-N. The full InChI is InChI=1S/C21H22ClN3S2.CH2O2/c1-2-6-15-19-21(27-20(15)14-8-3-4-9-16(14)23)17(11-18(22)25-19)24-12-13-7-5-10-26-13;2-1-3/h5,7,10-11,14,16H,3-4,8-9,12,23H2,1H3,(H,24,25);1H,(H,2,3)/t14-,16-;/m1./s1.
What are the key properties of 2-[(1R,2R)-2-aminocyclohexyl]-5-chloro-3-prop-1-ynyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;formic acid?
2-[(1R,2R)-2-aminocyclohexyl]-5-chloro-3-prop-1-ynyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;formic acid has a molecular weight of 462.04 g/mol, XLogP of 5.68, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R)-2-aminocyclohexyl]-5-chloro-3-prop-1-ynyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;formic acid is sourced from PubChem (CID 175972039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).