2-(2-amino-4-fluorobutyl)-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-7-amine

C17H19ClFN3OS — CID 170335773

IUPAC2-(2-amino-4-fluorobutyl)-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-7-amine
SMILESCc1c(CC(N)CCF)oc2c(NCc3cccs3)cc(Cl)nc12
InChIInChI=1S/C17H19ClFN3OS/c1-10-14(7-11(20)4-5-19)23-17-13(8-15(18)22-16(10)17)21-9-12-3-2-6-24-12/h2-3,6,8,11H,4-5,7,9,20H2,1H3,(H,21,22)
InChIKeyBLJMVSQSQKZWFG-UHFFFAOYSA-N
MW367.88 g/mol
LogP4.69
Rot. Bonds7

About 2-(2-amino-4-fluorobutyl)-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-7-amine

2-(2-amino-4-fluorobutyl)-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-7-amine (PubChem CID 170335773) has the molecular formula C17H19ClFN3OS and a molecular weight of 367.88 g/mol. Its IUPAC name is 2-(2-amino-4-fluorobutyl)-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-7-amine.

Molecular Properties

Compound Name2-(2-amino-4-fluorobutyl)-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-7-amine
PubChem CID170335773
Molecular FormulaC17H19ClFN3OS
Molecular Weight367.88 g/mol
Exact Mass367.09
IUPAC Name2-(2-amino-4-fluorobutyl)-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-7-amine
SMILESCc1c(CC(N)CCF)oc2c(NCc3cccs3)cc(Cl)nc12
InChIInChI=1S/C17H19ClFN3OS/c1-10-14(7-11(20)4-5-19)23-17-13(8-15(18)22-16(10)17)21-9-12-3-2-6-24-12/h2-3,6,8,11H,4-5,7,9,20H2,1H3,(H,21,22)
InChIKeyBLJMVSQSQKZWFG-UHFFFAOYSA-N
XLogP4.69
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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
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-[(2S)-2-aminobutyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 162390977
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-[(1S)-1-aminoethyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride
CID 162390915
2-(aminomethyl)-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 155066343
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
3-bromo-5-chloro-2-(1,1-difluoropropyl)-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-7-amine
CID 170585128
2-[(2S)-2-amino-4-fluorobutyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine
CID 162390990
tert-butyl N-[1-[5-chloro-3-[(Z)-hydroxyiminomethyl]-7-(thiophen-2-ylmethylamino)furo[3,2-b]pyridin-2-yl]-3-fluorobutan-2-yl]carbamate
CID 170335614
2-[(2S)-2-aminobutyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;dihydrochloride
CID 162390867
tert-butyl N-[(2R)-1-[5-chloro-3-ethynyl-7-(thiophen-2-ylmethylamino)furo[3,2-b]pyridin-2-yl]-3-(1-fluorocyclopropyl)propan-2-yl]carbamate
CID 170335825

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-fluorobutyl)-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-7-amine?
The IUPAC name of 2-(2-amino-4-fluorobutyl)-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-7-amine (CID 170335773) is 2-(2-amino-4-fluorobutyl)-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-7-amine.
What is the SMILES notation for 2-(2-amino-4-fluorobutyl)-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-7-amine?
The canonical SMILES for 2-(2-amino-4-fluorobutyl)-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-7-amine is Cc1c(CC(N)CCF)oc2c(NCc3cccs3)cc(Cl)nc12.
What is the InChIKey of 2-(2-amino-4-fluorobutyl)-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-7-amine?
The InChIKey is BLJMVSQSQKZWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN3OS/c1-10-14(7-11(20)4-5-19)23-17-13(8-15(18)22-16(10)17)21-9-12-3-2-6-24-12/h2-3,6,8,11H,4-5,7,9,20H2,1H3,(H,21,22).
What are the key properties of 2-(2-amino-4-fluorobutyl)-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-7-amine?
2-(2-amino-4-fluorobutyl)-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-7-amine has a molecular weight of 367.88 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-fluorobutyl)-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-7-amine is sourced from PubChem (CID 170335773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).