N-(5,6-dimethylpyridazin-3-yl)-5-[3-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-amine

C21H22FN7O2 — CID 164605991

IUPACN-(5,6-dimethylpyridazin-3-yl)-5-[3-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-amine
SMILESCc1cc(Nc2cc3cc(-c4c(O[C@@H]5CNC[C@@H]5F)noc4C)ccn3n2)nnc1C
InChIInChI=1S/C21H22FN7O2/c1-11-6-18(26-25-12(11)2)24-19-8-15-7-14(4-5-29(15)27-19)20-13(3)31-28-21(20)30-17-10-23-9-16(17)22/h4-8,16-17,23H,9-10H2,1-3H3,(H,24,26,27)/t16-,17+/m0/s1
InChIKeyTVSCRPFWNGNFIF-DLBZAZTESA-N
MW423.45 g/mol
LogP3.14
Rot. Bonds5

About N-(5,6-dimethylpyridazin-3-yl)-5-[3-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-amine

N-(5,6-dimethylpyridazin-3-yl)-5-[3-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-amine (PubChem CID 164605991) has the molecular formula C21H22FN7O2 and a molecular weight of 423.45 g/mol. Its IUPAC name is N-(5,6-dimethylpyridazin-3-yl)-5-[3-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-(5,6-dimethylpyridazin-3-yl)-5-[3-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-amine
PubChem CID164605991
Molecular FormulaC21H22FN7O2
Molecular Weight423.45 g/mol
Exact Mass423.18
IUPAC NameN-(5,6-dimethylpyridazin-3-yl)-5-[3-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-amine
SMILESCc1cc(Nc2cc3cc(-c4c(O[C@@H]5CNC[C@@H]5F)noc4C)ccn3n2)nnc1C
InChIInChI=1S/C21H22FN7O2/c1-11-6-18(26-25-12(11)2)24-19-8-15-7-14(4-5-29(15)27-19)20-13(3)31-28-21(20)30-17-10-23-9-16(17)22/h4-8,16-17,23H,9-10H2,1-3H3,(H,24,26,27)/t16-,17+/m0/s1
InChIKeyTVSCRPFWNGNFIF-DLBZAZTESA-N
XLogP3.14
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethylpyridazin-3-yl)-5-[3-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-(5,6-dimethylpyridazin-3-yl)-5-[3-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-amine (CID 164605991) is N-(5,6-dimethylpyridazin-3-yl)-5-[3-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-(5,6-dimethylpyridazin-3-yl)-5-[3-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-(5,6-dimethylpyridazin-3-yl)-5-[3-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-amine is Cc1cc(Nc2cc3cc(-c4c(O[C@@H]5CNC[C@@H]5F)noc4C)ccn3n2)nnc1C.
What is the InChIKey of N-(5,6-dimethylpyridazin-3-yl)-5-[3-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-amine?
The InChIKey is TVSCRPFWNGNFIF-DLBZAZTESA-N. The full InChI is InChI=1S/C21H22FN7O2/c1-11-6-18(26-25-12(11)2)24-19-8-15-7-14(4-5-29(15)27-19)20-13(3)31-28-21(20)30-17-10-23-9-16(17)22/h4-8,16-17,23H,9-10H2,1-3H3,(H,24,26,27)/t16-,17+/m0/s1.
What are the key properties of N-(5,6-dimethylpyridazin-3-yl)-5-[3-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-amine?
N-(5,6-dimethylpyridazin-3-yl)-5-[3-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-amine has a molecular weight of 423.45 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethylpyridazin-3-yl)-5-[3-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 164605991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).