3-[3-(difluoromethoxy)phenyl]-N-[(1R,2R)-2-morpholin-4-ylcyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide

C26H31F2N5O3 — CID 162359391

IUPAC3-[3-(difluoromethoxy)phenyl]-N-[(1R,2R)-2-morpholin-4-ylcyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
SMILESCC(C)n1nc(-c2cccc(OC(F)F)c2)c2ncc(C(=O)N[C@@H]3CCC[C@H]3N3CCOCC3)cc21
InChIInChI=1S/C26H31F2N5O3/c1-16(2)33-22-14-18(25(34)30-20-7-4-8-21(20)32-9-11-35-12-10-32)15-29-24(22)23(31-33)17-5-3-6-19(13-17)36-26(27)28/h3,5-6,13-16,20-21,26H,4,7-12H2,1-2H3,(H,30,34)/t20-,21-/m1/s1
InChIKeyKZVNOGPIVIVTMF-NHCUHLMSSA-N
MW499.56 g/mol
LogP4.26
Rot. Bonds7

About 3-[3-(difluoromethoxy)phenyl]-N-[(1R,2R)-2-morpholin-4-ylcyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide

3-[3-(difluoromethoxy)phenyl]-N-[(1R,2R)-2-morpholin-4-ylcyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide (PubChem CID 162359391) has the molecular formula C26H31F2N5O3 and a molecular weight of 499.56 g/mol. Its IUPAC name is 3-[3-(difluoromethoxy)phenyl]-N-[(1R,2R)-2-morpholin-4-ylcyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[3-(difluoromethoxy)phenyl]-N-[(1R,2R)-2-morpholin-4-ylcyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
PubChem CID162359391
Molecular FormulaC26H31F2N5O3
Molecular Weight499.56 g/mol
Exact Mass499.24
IUPAC Name3-[3-(difluoromethoxy)phenyl]-N-[(1R,2R)-2-morpholin-4-ylcyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
SMILESCC(C)n1nc(-c2cccc(OC(F)F)c2)c2ncc(C(=O)N[C@@H]3CCC[C@H]3N3CCOCC3)cc21
InChIInChI=1S/C26H31F2N5O3/c1-16(2)33-22-14-18(25(34)30-20-7-4-8-21(20)32-9-11-35-12-10-32)15-29-24(22)23(31-33)17-5-3-6-19(13-17)36-26(27)28/h3,5-6,13-16,20-21,26H,4,7-12H2,1-2H3,(H,30,34)/t20-,21-/m1/s1
InChIKeyKZVNOGPIVIVTMF-NHCUHLMSSA-N
XLogP4.26
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.56
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(difluoromethoxy)phenyl]-N-[(1R,2R)-2-morpholin-4-ylcyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
The IUPAC name of 3-[3-(difluoromethoxy)phenyl]-N-[(1R,2R)-2-morpholin-4-ylcyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide (CID 162359391) is 3-[3-(difluoromethoxy)phenyl]-N-[(1R,2R)-2-morpholin-4-ylcyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-[3-(difluoromethoxy)phenyl]-N-[(1R,2R)-2-morpholin-4-ylcyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
The canonical SMILES for 3-[3-(difluoromethoxy)phenyl]-N-[(1R,2R)-2-morpholin-4-ylcyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide is CC(C)n1nc(-c2cccc(OC(F)F)c2)c2ncc(C(=O)N[C@@H]3CCC[C@H]3N3CCOCC3)cc21.
What is the InChIKey of 3-[3-(difluoromethoxy)phenyl]-N-[(1R,2R)-2-morpholin-4-ylcyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
The InChIKey is KZVNOGPIVIVTMF-NHCUHLMSSA-N. The full InChI is InChI=1S/C26H31F2N5O3/c1-16(2)33-22-14-18(25(34)30-20-7-4-8-21(20)32-9-11-35-12-10-32)15-29-24(22)23(31-33)17-5-3-6-19(13-17)36-26(27)28/h3,5-6,13-16,20-21,26H,4,7-12H2,1-2H3,(H,30,34)/t20-,21-/m1/s1.
What are the key properties of 3-[3-(difluoromethoxy)phenyl]-N-[(1R,2R)-2-morpholin-4-ylcyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
3-[3-(difluoromethoxy)phenyl]-N-[(1R,2R)-2-morpholin-4-ylcyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide has a molecular weight of 499.56 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(difluoromethoxy)phenyl]-N-[(1R,2R)-2-morpholin-4-ylcyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 162359391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).