N-[(2S)-1-[3-[4-carbamoyl-1-(difluoromethyl)pyrazol-3-yl]oxycyclobutyl]propan-2-yl]-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridine-3-carboxamide

C24H24F8N6O5 — CID 156545060

IUPACN-[(2S)-1-[3-[4-carbamoyl-1-(difluoromethyl)pyrazol-3-yl]oxycyclobutyl]propan-2-yl]-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESC[C@@H](CC1CC(Oc2nn(C(F)F)cc2C(N)=O)C1)NC(=O)c1cnn2cc(OCC(O)(C(F)(F)F)C(F)(F)F)ccc12
InChIInChI=1S/C24H24F8N6O5/c1-11(4-12-5-14(6-12)43-20-16(18(33)39)9-38(36-20)21(25)26)35-19(40)15-7-34-37-8-13(2-3-17(15)37)42-10-22(41,23(27,28)29)24(30,31)32/h2-3,7-9,11-12,14,21,41H,4-6,10H2,1H3,(H2,33,39)(H,35,40)/t11-,12?,14?/m0/s1
InChIKeyWAMLNUTWDQCYLX-DCBWTQNWSA-N
MW628.48 g/mol
LogP3.63
Rot. Bonds11

About N-[(2S)-1-[3-[4-carbamoyl-1-(difluoromethyl)pyrazol-3-yl]oxycyclobutyl]propan-2-yl]-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridine-3-carboxamide

N-[(2S)-1-[3-[4-carbamoyl-1-(difluoromethyl)pyrazol-3-yl]oxycyclobutyl]propan-2-yl]-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 156545060) has the molecular formula C24H24F8N6O5 and a molecular weight of 628.48 g/mol. Its IUPAC name is N-[(2S)-1-[3-[4-carbamoyl-1-(difluoromethyl)pyrazol-3-yl]oxycyclobutyl]propan-2-yl]-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[3-[4-carbamoyl-1-(difluoromethyl)pyrazol-3-yl]oxycyclobutyl]propan-2-yl]-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID156545060
Molecular FormulaC24H24F8N6O5
Molecular Weight628.48 g/mol
Exact Mass628.17
IUPAC NameN-[(2S)-1-[3-[4-carbamoyl-1-(difluoromethyl)pyrazol-3-yl]oxycyclobutyl]propan-2-yl]-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESC[C@@H](CC1CC(Oc2nn(C(F)F)cc2C(N)=O)C1)NC(=O)c1cnn2cc(OCC(O)(C(F)(F)F)C(F)(F)F)ccc12
InChIInChI=1S/C24H24F8N6O5/c1-11(4-12-5-14(6-12)43-20-16(18(33)39)9-38(36-20)21(25)26)35-19(40)15-7-34-37-8-13(2-3-17(15)37)42-10-22(41,23(27,28)29)24(30,31)32/h2-3,7-9,11-12,14,21,41H,4-6,10H2,1H3,(H2,33,39)(H,35,40)/t11-,12?,14?/m0/s1
InChIKeyWAMLNUTWDQCYLX-DCBWTQNWSA-N
XLogP3.63
TPSA146.00 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500628.48
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[3-[4-carbamoyl-1-(difluoromethyl)pyrazol-3-yl]oxycyclobutyl]propan-2-yl]-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-1-[3-[4-carbamoyl-1-(difluoromethyl)pyrazol-3-yl]oxycyclobutyl]propan-2-yl]-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 156545060) is N-[(2S)-1-[3-[4-carbamoyl-1-(difluoromethyl)pyrazol-3-yl]oxycyclobutyl]propan-2-yl]-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-[3-[4-carbamoyl-1-(difluoromethyl)pyrazol-3-yl]oxycyclobutyl]propan-2-yl]-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-[3-[4-carbamoyl-1-(difluoromethyl)pyrazol-3-yl]oxycyclobutyl]propan-2-yl]-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridine-3-carboxamide is C[C@@H](CC1CC(Oc2nn(C(F)F)cc2C(N)=O)C1)NC(=O)c1cnn2cc(OCC(O)(C(F)(F)F)C(F)(F)F)ccc12.
What is the InChIKey of N-[(2S)-1-[3-[4-carbamoyl-1-(difluoromethyl)pyrazol-3-yl]oxycyclobutyl]propan-2-yl]-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is WAMLNUTWDQCYLX-DCBWTQNWSA-N. The full InChI is InChI=1S/C24H24F8N6O5/c1-11(4-12-5-14(6-12)43-20-16(18(33)39)9-38(36-20)21(25)26)35-19(40)15-7-34-37-8-13(2-3-17(15)37)42-10-22(41,23(27,28)29)24(30,31)32/h2-3,7-9,11-12,14,21,41H,4-6,10H2,1H3,(H2,33,39)(H,35,40)/t11-,12?,14?/m0/s1.
What are the key properties of N-[(2S)-1-[3-[4-carbamoyl-1-(difluoromethyl)pyrazol-3-yl]oxycyclobutyl]propan-2-yl]-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridine-3-carboxamide?
N-[(2S)-1-[3-[4-carbamoyl-1-(difluoromethyl)pyrazol-3-yl]oxycyclobutyl]propan-2-yl]-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 628.48 g/mol, XLogP of 3.63, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[3-[4-carbamoyl-1-(difluoromethyl)pyrazol-3-yl]oxycyclobutyl]propan-2-yl]-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 156545060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).