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

C20H25F2N7O2 — CID 90155138

IUPACN-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(3-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(Nc2ccn3ncc(F)c3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O
InChIInChI=1S/C20H25F2N7O2/c1-11(2)26-14-7-17(27-16-5-6-29-18(28-16)13(21)9-25-29)23-8-12(14)19(30)24-10-15(22)20(3,4)31/h5-9,11,15,31H,10H2,1-4H3,(H,24,30)(H2,23,26,27,28)/t15-/m1/s1
InChIKeyQUEJFYGYHQBLFG-OAHLLOKOSA-N
MW433.46 g/mol
LogP2.67
Rot. Bonds8

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

N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(3-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 90155138) has the molecular formula C20H25F2N7O2 and a molecular weight of 433.46 g/mol. Its IUPAC name is N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(3-fluoropyrazolo[1,5-a]pyrimidin-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]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID90155138
Molecular FormulaC20H25F2N7O2
Molecular Weight433.46 g/mol
Exact Mass433.20
IUPAC NameN-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(3-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(Nc2ccn3ncc(F)c3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O
InChIInChI=1S/C20H25F2N7O2/c1-11(2)26-14-7-17(27-16-5-6-29-18(28-16)13(21)9-25-29)23-8-12(14)19(30)24-10-15(22)20(3,4)31/h5-9,11,15,31H,10H2,1-4H3,(H,24,30)(H2,23,26,27,28)/t15-/m1/s1
InChIKeyQUEJFYGYHQBLFG-OAHLLOKOSA-N
XLogP2.67
TPSA116.47 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 52.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

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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]pyrimidin-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]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide (CID 90155138) is N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(3-fluoropyrazolo[1,5-a]pyrimidin-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]pyrimidin-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]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)Nc1cc(Nc2ccn3ncc(F)c3n2)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]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is QUEJFYGYHQBLFG-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25F2N7O2/c1-11(2)26-14-7-17(27-16-5-6-29-18(28-16)13(21)9-25-29)23-8-12(14)19(30)24-10-15(22)20(3,4)31/h5-9,11,15,31H,10H2,1-4H3,(H,24,30)(H2,23,26,27,28)/t15-/m1/s1.
What are the key properties of N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(3-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide?
N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(3-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 433.46 g/mol, XLogP of 2.67, 8 rotatable bonds, 4 hydrogen bond donors, and 8 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]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 90155138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).