3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(1S,2R)-2-hydroxycyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide

C21H23F2N5O3 — CID 162358904

IUPAC3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(1S,2R)-2-hydroxycyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
SMILESCC(C)n1nc(-c2cncc(OC(F)F)c2)c2ncc(C(=O)N[C@H]3CCC[C@H]3O)cc21
InChIInChI=1S/C21H23F2N5O3/c1-11(2)28-16-7-13(20(30)26-15-4-3-5-17(15)29)9-25-19(16)18(27-28)12-6-14(10-24-8-12)31-21(22)23/h6-11,15,17,21,29H,3-5H2,1-2H3,(H,26,30)/t15-,17+/m0/s1
InChIKeyPEOXSGYSNPAMFS-DOTOQJQBSA-N
MW431.44 g/mol
LogP3.32
Rot. Bonds6

About 3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(1S,2R)-2-hydroxycyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide

3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(1S,2R)-2-hydroxycyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide (PubChem CID 162358904) has the molecular formula C21H23F2N5O3 and a molecular weight of 431.44 g/mol. Its IUPAC name is 3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(1S,2R)-2-hydroxycyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(1S,2R)-2-hydroxycyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
PubChem CID162358904
Molecular FormulaC21H23F2N5O3
Molecular Weight431.44 g/mol
Exact Mass431.18
IUPAC Name3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(1S,2R)-2-hydroxycyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
SMILESCC(C)n1nc(-c2cncc(OC(F)F)c2)c2ncc(C(=O)N[C@H]3CCC[C@H]3O)cc21
InChIInChI=1S/C21H23F2N5O3/c1-11(2)28-16-7-13(20(30)26-15-4-3-5-17(15)29)9-25-19(16)18(27-28)12-6-14(10-24-8-12)31-21(22)23/h6-11,15,17,21,29H,3-5H2,1-2H3,(H,26,30)/t15-,17+/m0/s1
InChIKeyPEOXSGYSNPAMFS-DOTOQJQBSA-N
XLogP3.32
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(1S,2R)-2-hydroxycyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
The IUPAC name of 3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(1S,2R)-2-hydroxycyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide (CID 162358904) is 3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(1S,2R)-2-hydroxycyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(1S,2R)-2-hydroxycyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
The canonical SMILES for 3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(1S,2R)-2-hydroxycyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide is CC(C)n1nc(-c2cncc(OC(F)F)c2)c2ncc(C(=O)N[C@H]3CCC[C@H]3O)cc21.
What is the InChIKey of 3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(1S,2R)-2-hydroxycyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
The InChIKey is PEOXSGYSNPAMFS-DOTOQJQBSA-N. The full InChI is InChI=1S/C21H23F2N5O3/c1-11(2)28-16-7-13(20(30)26-15-4-3-5-17(15)29)9-25-19(16)18(27-28)12-6-14(10-24-8-12)31-21(22)23/h6-11,15,17,21,29H,3-5H2,1-2H3,(H,26,30)/t15-,17+/m0/s1.
What are the key properties of 3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(1S,2R)-2-hydroxycyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(1S,2R)-2-hydroxycyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide has a molecular weight of 431.44 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(1S,2R)-2-hydroxycyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 162358904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).