3-bromo-5-chloro-2-(1,1-difluoropropyl)-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-7-amine

C15H12BrClF2N2OS — CID 170585128

IUPAC3-bromo-5-chloro-2-(1,1-difluoropropyl)-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-7-amine
SMILESCCC(F)(F)c1oc2c(NCc3cccs3)cc(Cl)nc2c1Br
InChIInChI=1S/C15H12BrClF2N2OS/c1-2-15(18,19)14-11(16)12-13(22-14)9(6-10(17)21-12)20-7-8-4-3-5-23-8/h3-6H,2,7H2,1H3,(H,20,21)
InChIKeySCAUCGPPDNCLFZ-UHFFFAOYSA-N
MW421.69 g/mol
LogP6.42
Rot. Bonds5

About 3-bromo-5-chloro-2-(1,1-difluoropropyl)-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-7-amine

3-bromo-5-chloro-2-(1,1-difluoropropyl)-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-7-amine (PubChem CID 170585128) has the molecular formula C15H12BrClF2N2OS and a molecular weight of 421.69 g/mol. Its IUPAC name is 3-bromo-5-chloro-2-(1,1-difluoropropyl)-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-7-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-2-(1,1-difluoropropyl)-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-7-amine
PubChem CID170585128
Molecular FormulaC15H12BrClF2N2OS
Molecular Weight421.69 g/mol
Exact Mass419.95
IUPAC Name3-bromo-5-chloro-2-(1,1-difluoropropyl)-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-7-amine
SMILESCCC(F)(F)c1oc2c(NCc3cccs3)cc(Cl)nc2c1Br
InChIInChI=1S/C15H12BrClF2N2OS/c1-2-15(18,19)14-11(16)12-13(22-14)9(6-10(17)21-12)20-7-8-4-3-5-23-8/h3-6H,2,7H2,1H3,(H,20,21)
InChIKeySCAUCGPPDNCLFZ-UHFFFAOYSA-N
XLogP6.42
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.69
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-bromo-5-chloro-2-(1,1-difluoropropyl)-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-7-amine with MolForge

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Related Compounds

2-[(2R,3S)-2-amino-3-fluorobutyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-7-amine
CID 170335662
tert-butyl N-[(2S)-1-[3-bromo-5-chloro-7-(thiophen-2-ylmethylamino)furo[3,2-b]pyridin-2-yl]propan-2-yl]carbamate
CID 170330463
tert-butyl N-[(2S)-1-[3-bromo-5-chloro-7-(thiophen-2-ylmethylamino)furo[3,2-b]pyridin-2-yl]-4-(difluoromethoxy)butan-2-yl]carbamate
CID 170335754
2-(2-amino-4-fluorobutyl)-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-7-amine
CID 170335773
2-[(2S)-2-aminobutyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;dihydrochloride
CID 162390867
(2S)-2-amino-1-[3-bromo-5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;dihydrochloride
CID 162391090
5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 170643760
2-(aminomethyl)-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 155066343
2-[(2S)-2-amino-4-fluorobutyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride
CID 162391081
2-[(1S)-1-aminoethyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride
CID 162390915
2-[(1S,3S,4S,6R)-4-amino-3-bicyclo[4.1.0]heptanyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2,2,2-trifluoroacetic acid
CID 175972057
CID 170584878
CID 170584878

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2-(1,1-difluoropropyl)-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-7-amine?
The IUPAC name of 3-bromo-5-chloro-2-(1,1-difluoropropyl)-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-7-amine (CID 170585128) is 3-bromo-5-chloro-2-(1,1-difluoropropyl)-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-7-amine.
What is the SMILES notation for 3-bromo-5-chloro-2-(1,1-difluoropropyl)-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-7-amine?
The canonical SMILES for 3-bromo-5-chloro-2-(1,1-difluoropropyl)-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-7-amine is CCC(F)(F)c1oc2c(NCc3cccs3)cc(Cl)nc2c1Br.
What is the InChIKey of 3-bromo-5-chloro-2-(1,1-difluoropropyl)-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-7-amine?
The InChIKey is SCAUCGPPDNCLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClF2N2OS/c1-2-15(18,19)14-11(16)12-13(22-14)9(6-10(17)21-12)20-7-8-4-3-5-23-8/h3-6H,2,7H2,1H3,(H,20,21).
What are the key properties of 3-bromo-5-chloro-2-(1,1-difluoropropyl)-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-7-amine?
3-bromo-5-chloro-2-(1,1-difluoropropyl)-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-7-amine has a molecular weight of 421.69 g/mol, XLogP of 6.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-2-(1,1-difluoropropyl)-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-7-amine is sourced from PubChem (CID 170585128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).