N-[(3S)-3-cyanooxolan-3-yl]-3-[3-(difluoromethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide

C22H21F2N5O3 — CID 162358848

IUPACN-[(3S)-3-cyanooxolan-3-yl]-3-[3-(difluoromethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
SMILESCC(C)n1nc(-c2cccc(OC(F)F)c2)c2ncc(C(=O)N[C@]3(C#N)CCOC3)cc21
InChIInChI=1S/C22H21F2N5O3/c1-13(2)29-17-9-15(20(30)27-22(11-25)6-7-31-12-22)10-26-19(17)18(28-29)14-4-3-5-16(8-14)32-21(23)24/h3-5,8-10,13,21H,6-7,12H2,1-2H3,(H,27,30)/t22-/m0/s1
InChIKeyUYIZJBRGHIEPKV-QFIPXVFZSA-N
MW441.44 g/mol
LogP3.69
Rot. Bonds6

About N-[(3S)-3-cyanooxolan-3-yl]-3-[3-(difluoromethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide

N-[(3S)-3-cyanooxolan-3-yl]-3-[3-(difluoromethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide (PubChem CID 162358848) has the molecular formula C22H21F2N5O3 and a molecular weight of 441.44 g/mol. Its IUPAC name is N-[(3S)-3-cyanooxolan-3-yl]-3-[3-(difluoromethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(3S)-3-cyanooxolan-3-yl]-3-[3-(difluoromethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
PubChem CID162358848
Molecular FormulaC22H21F2N5O3
Molecular Weight441.44 g/mol
Exact Mass441.16
IUPAC NameN-[(3S)-3-cyanooxolan-3-yl]-3-[3-(difluoromethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
SMILESCC(C)n1nc(-c2cccc(OC(F)F)c2)c2ncc(C(=O)N[C@]3(C#N)CCOC3)cc21
InChIInChI=1S/C22H21F2N5O3/c1-13(2)29-17-9-15(20(30)27-22(11-25)6-7-31-12-22)10-26-19(17)18(28-29)14-4-3-5-16(8-14)32-21(23)24/h3-5,8-10,13,21H,6-7,12H2,1-2H3,(H,27,30)/t22-/m0/s1
InChIKeyUYIZJBRGHIEPKV-QFIPXVFZSA-N
XLogP3.69
TPSA102.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-cyanooxolan-3-yl]-3-[3-(difluoromethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
The IUPAC name of N-[(3S)-3-cyanooxolan-3-yl]-3-[3-(difluoromethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide (CID 162358848) is N-[(3S)-3-cyanooxolan-3-yl]-3-[3-(difluoromethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[(3S)-3-cyanooxolan-3-yl]-3-[3-(difluoromethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
The canonical SMILES for N-[(3S)-3-cyanooxolan-3-yl]-3-[3-(difluoromethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide is CC(C)n1nc(-c2cccc(OC(F)F)c2)c2ncc(C(=O)N[C@]3(C#N)CCOC3)cc21.
What is the InChIKey of N-[(3S)-3-cyanooxolan-3-yl]-3-[3-(difluoromethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
The InChIKey is UYIZJBRGHIEPKV-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H21F2N5O3/c1-13(2)29-17-9-15(20(30)27-22(11-25)6-7-31-12-22)10-26-19(17)18(28-29)14-4-3-5-16(8-14)32-21(23)24/h3-5,8-10,13,21H,6-7,12H2,1-2H3,(H,27,30)/t22-/m0/s1.
What are the key properties of N-[(3S)-3-cyanooxolan-3-yl]-3-[3-(difluoromethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
N-[(3S)-3-cyanooxolan-3-yl]-3-[3-(difluoromethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide has a molecular weight of 441.44 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-cyanooxolan-3-yl]-3-[3-(difluoromethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 162358848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).