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

C21H26ClFN6O2 — CID 90155448

IUPAC6-[(3-chloropyrazolo[1,5-a]pyridin-5-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(Nc2ccn3ncc(Cl)c3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O
InChIInChI=1S/C21H26ClFN6O2/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
InChIKeyWDGALZXADYZZEK-GOSISDBHSA-N
MW448.93 g/mol
LogP3.79
Rot. Bonds8

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

6-[(3-chloropyrazolo[1,5-a]pyridin-5-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 90155448) has the molecular formula C21H26ClFN6O2 and a molecular weight of 448.93 g/mol. Its IUPAC name is 6-[(3-chloropyrazolo[1,5-a]pyridin-5-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3-chloropyrazolo[1,5-a]pyridin-5-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID90155448
Molecular FormulaC21H26ClFN6O2
Molecular Weight448.93 g/mol
Exact Mass448.18
IUPAC Name6-[(3-chloropyrazolo[1,5-a]pyridin-5-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(Nc2ccn3ncc(Cl)c3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O
InChIInChI=1S/C21H26ClFN6O2/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
InChIKeyWDGALZXADYZZEK-GOSISDBHSA-N
XLogP3.79
TPSA103.58 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.93
LogP ≤ 53.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-chloropyrazolo[1,5-a]pyridin-5-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-[(3-chloropyrazolo[1,5-a]pyridin-5-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide (CID 90155448) is 6-[(3-chloropyrazolo[1,5-a]pyridin-5-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(3-chloropyrazolo[1,5-a]pyridin-5-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-[(3-chloropyrazolo[1,5-a]pyridin-5-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)Nc1cc(Nc2ccn3ncc(Cl)c3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O.
What is the InChIKey of 6-[(3-chloropyrazolo[1,5-a]pyridin-5-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is WDGALZXADYZZEK-GOSISDBHSA-N. The full InChI is InChI=1S/C21H26ClFN6O2/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 6-[(3-chloropyrazolo[1,5-a]pyridin-5-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
6-[(3-chloropyrazolo[1,5-a]pyridin-5-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 448.93 g/mol, XLogP of 3.79, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chloropyrazolo[1,5-a]pyridin-5-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 90155448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).