4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl)amino]pyridine-3-carboxamide

C19H22F2N6O2S — CID 90155257

IUPAC4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl)amino]pyridine-3-carboxamide
SMILESCCNc1cc(Nc2nc3scnc3cc2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O
InChIInChI=1S/C19H22F2N6O2S/c1-4-22-12-6-15(26-16-11(20)5-13-18(27-16)30-9-25-13)23-7-10(12)17(28)24-8-14(21)19(2,3)29/h5-7,9,14,29H,4,8H2,1-3H3,(H,24,28)(H2,22,23,26,27)/t14-/m1/s1
InChIKeyLGOJUXDQQVTPLQ-CQSZACIVSA-N
MW436.49 g/mol
LogP3.24
Rot. Bonds8

About 4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl)amino]pyridine-3-carboxamide

4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl)amino]pyridine-3-carboxamide (PubChem CID 90155257) has the molecular formula C19H22F2N6O2S and a molecular weight of 436.49 g/mol. Its IUPAC name is 4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl)amino]pyridine-3-carboxamide
PubChem CID90155257
Molecular FormulaC19H22F2N6O2S
Molecular Weight436.49 g/mol
Exact Mass436.15
IUPAC Name4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl)amino]pyridine-3-carboxamide
SMILESCCNc1cc(Nc2nc3scnc3cc2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O
InChIInChI=1S/C19H22F2N6O2S/c1-4-22-12-6-15(26-16-11(20)5-13-18(27-16)30-9-25-13)23-7-10(12)17(28)24-8-14(21)19(2,3)29/h5-7,9,14,29H,4,8H2,1-3H3,(H,24,28)(H2,22,23,26,27)/t14-/m1/s1
InChIKeyLGOJUXDQQVTPLQ-CQSZACIVSA-N
XLogP3.24
TPSA112.06 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl)amino]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl)amino]pyridine-3-carboxamide?
The IUPAC name of 4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl)amino]pyridine-3-carboxamide (CID 90155257) is 4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl)amino]pyridine-3-carboxamide is CCNc1cc(Nc2nc3scnc3cc2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O.
What is the InChIKey of 4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl)amino]pyridine-3-carboxamide?
The InChIKey is LGOJUXDQQVTPLQ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22F2N6O2S/c1-4-22-12-6-15(26-16-11(20)5-13-18(27-16)30-9-25-13)23-7-10(12)17(28)24-8-14(21)19(2,3)29/h5-7,9,14,29H,4,8H2,1-3H3,(H,24,28)(H2,22,23,26,27)/t14-/m1/s1.
What are the key properties of 4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl)amino]pyridine-3-carboxamide?
4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl)amino]pyridine-3-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 3.24, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 90155257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).