N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(3-fluoropyrazolo[1,5-a]pyridin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide

C21H26F2N6O2 — CID 90155047

IUPACN-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(3-fluoropyrazolo[1,5-a]pyridin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(Nc2ccn3ncc(F)c3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O
InChIInChI=1S/C21H26F2N6O2/c1-12(2)27-16-8-19(28-13-5-6-29-17(7-13)15(22)10-26-29)24-9-14(16)20(30)25-11-18(23)21(3,4)31/h5-10,12,18,31H,11H2,1-4H3,(H,25,30)(H2,24,27,28)/t18-/m1/s1
InChIKeyTVVGFYGOHMUJKL-GOSISDBHSA-N
MW432.48 g/mol
LogP3.27
Rot. Bonds8

About N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(3-fluoropyrazolo[1,5-a]pyridin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide

N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(3-fluoropyrazolo[1,5-a]pyridin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 90155047) has the molecular formula C21H26F2N6O2 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(3-fluoropyrazolo[1,5-a]pyridin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(3-fluoropyrazolo[1,5-a]pyridin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID90155047
Molecular FormulaC21H26F2N6O2
Molecular Weight432.48 g/mol
Exact Mass432.21
IUPAC NameN-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(3-fluoropyrazolo[1,5-a]pyridin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(Nc2ccn3ncc(F)c3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O
InChIInChI=1S/C21H26F2N6O2/c1-12(2)27-16-8-19(28-13-5-6-29-17(7-13)15(22)10-26-29)24-9-14(16)20(30)25-11-18(23)21(3,4)31/h5-10,12,18,31H,11H2,1-4H3,(H,25,30)(H2,24,27,28)/t18-/m1/s1
InChIKeyTVVGFYGOHMUJKL-GOSISDBHSA-N
XLogP3.27
TPSA103.58 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(3-fluoropyrazolo[1,5-a]pyridin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(3-fluoropyrazolo[1,5-a]pyridin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide (CID 90155047) is N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(3-fluoropyrazolo[1,5-a]pyridin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(3-fluoropyrazolo[1,5-a]pyridin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(3-fluoropyrazolo[1,5-a]pyridin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)Nc1cc(Nc2ccn3ncc(F)c3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O.
What is the InChIKey of N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(3-fluoropyrazolo[1,5-a]pyridin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is TVVGFYGOHMUJKL-GOSISDBHSA-N. The full InChI is InChI=1S/C21H26F2N6O2/c1-12(2)27-16-8-19(28-13-5-6-29-17(7-13)15(22)10-26-29)24-9-14(16)20(30)25-11-18(23)21(3,4)31/h5-10,12,18,31H,11H2,1-4H3,(H,25,30)(H2,24,27,28)/t18-/m1/s1.
What are the key properties of N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(3-fluoropyrazolo[1,5-a]pyridin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide?
N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(3-fluoropyrazolo[1,5-a]pyridin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 3.27, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(3-fluoropyrazolo[1,5-a]pyridin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 90155047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).