2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxy-4-[6-(2-methyl-1-morpholin-4-ylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]benzamide

C27H31F3N4O5 — CID 161123848

IUPAC2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxy-4-[6-(2-methyl-1-morpholin-4-ylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]benzamide
SMILESCOc1cc(-c2cnn3cc(OC(C)(C)CN4CCOCC4)ccc23)cc(OC(F)F)c1C(=O)N[C@@H]1C[C@@H]1F
InChIInChI=1S/C27H31F3N4O5/c1-27(2,15-33-6-8-37-9-7-33)39-17-4-5-21-18(13-31-34(21)14-17)16-10-22(36-3)24(23(11-16)38-26(29)30)25(35)32-20-12-19(20)28/h4-5,10-11,13-14,19-20,26H,6-9,12,15H2,1-3H3,(H,32,35)/t19-,20+/m0/s1
InChIKeyULHKXQAOOHVMDP-VQTJNVASSA-N
MW548.56 g/mol
LogP3.94
Rot. Bonds10

About 2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxy-4-[6-(2-methyl-1-morpholin-4-ylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]benzamide

2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxy-4-[6-(2-methyl-1-morpholin-4-ylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]benzamide (PubChem CID 161123848) has the molecular formula C27H31F3N4O5 and a molecular weight of 548.56 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxy-4-[6-(2-methyl-1-morpholin-4-ylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxy-4-[6-(2-methyl-1-morpholin-4-ylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]benzamide
PubChem CID161123848
Molecular FormulaC27H31F3N4O5
Molecular Weight548.56 g/mol
Exact Mass548.22
IUPAC Name2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxy-4-[6-(2-methyl-1-morpholin-4-ylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]benzamide
SMILESCOc1cc(-c2cnn3cc(OC(C)(C)CN4CCOCC4)ccc23)cc(OC(F)F)c1C(=O)N[C@@H]1C[C@@H]1F
InChIInChI=1S/C27H31F3N4O5/c1-27(2,15-33-6-8-37-9-7-33)39-17-4-5-21-18(13-31-34(21)14-17)16-10-22(36-3)24(23(11-16)38-26(29)30)25(35)32-20-12-19(20)28/h4-5,10-11,13-14,19-20,26H,6-9,12,15H2,1-3H3,(H,32,35)/t19-,20+/m0/s1
InChIKeyULHKXQAOOHVMDP-VQTJNVASSA-N
XLogP3.94
TPSA86.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.56
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxy-4-[6-(2-methyl-1-morpholin-4-ylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxy-4-[6-(2-methyl-1-morpholin-4-ylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxy-4-[6-(2-methyl-1-morpholin-4-ylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]benzamide (CID 161123848) is 2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxy-4-[6-(2-methyl-1-morpholin-4-ylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxy-4-[6-(2-methyl-1-morpholin-4-ylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxy-4-[6-(2-methyl-1-morpholin-4-ylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]benzamide is COc1cc(-c2cnn3cc(OC(C)(C)CN4CCOCC4)ccc23)cc(OC(F)F)c1C(=O)N[C@@H]1C[C@@H]1F.
What is the InChIKey of 2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxy-4-[6-(2-methyl-1-morpholin-4-ylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]benzamide?
The InChIKey is ULHKXQAOOHVMDP-VQTJNVASSA-N. The full InChI is InChI=1S/C27H31F3N4O5/c1-27(2,15-33-6-8-37-9-7-33)39-17-4-5-21-18(13-31-34(21)14-17)16-10-22(36-3)24(23(11-16)38-26(29)30)25(35)32-20-12-19(20)28/h4-5,10-11,13-14,19-20,26H,6-9,12,15H2,1-3H3,(H,32,35)/t19-,20+/m0/s1.
What are the key properties of 2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxy-4-[6-(2-methyl-1-morpholin-4-ylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]benzamide?
2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxy-4-[6-(2-methyl-1-morpholin-4-ylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]benzamide has a molecular weight of 548.56 g/mol, XLogP of 3.94, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxy-4-[6-(2-methyl-1-morpholin-4-ylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 161123848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).