4-[4-[7-fluoro-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]phenoxy]pyridine-3-carbonitrile

C26H21FN6O2 — CID 134521449

IUPAC4-[4-[7-fluoro-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]phenoxy]pyridine-3-carbonitrile
SMILESC=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccncc4C#N)cc3)c3cncc(F)c32)C1
InChIInChI=1S/C26H21FN6O2/c1-2-24(34)32-11-3-4-19(16-32)33-26-21(14-30-15-22(26)27)25(31-33)17-5-7-20(8-6-17)35-23-9-10-29-13-18(23)12-28/h2,5-10,13-15,19H,1,3-4,11,16H2/t19-/m1/s1
InChIKeyPMNVRMOVGHHYDI-LJQANCHMSA-N
MW468.49 g/mol
LogP4.65
Rot. Bonds5

About 4-[4-[7-fluoro-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]phenoxy]pyridine-3-carbonitrile

4-[4-[7-fluoro-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]phenoxy]pyridine-3-carbonitrile (PubChem CID 134521449) has the molecular formula C26H21FN6O2 and a molecular weight of 468.49 g/mol. Its IUPAC name is 4-[4-[7-fluoro-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]phenoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[4-[7-fluoro-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]phenoxy]pyridine-3-carbonitrile
PubChem CID134521449
Molecular FormulaC26H21FN6O2
Molecular Weight468.49 g/mol
Exact Mass468.17
IUPAC Name4-[4-[7-fluoro-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]phenoxy]pyridine-3-carbonitrile
SMILESC=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccncc4C#N)cc3)c3cncc(F)c32)C1
InChIInChI=1S/C26H21FN6O2/c1-2-24(34)32-11-3-4-19(16-32)33-26-21(14-30-15-22(26)27)25(31-33)17-5-7-20(8-6-17)35-23-9-10-29-13-18(23)12-28/h2,5-10,13-15,19H,1,3-4,11,16H2/t19-/m1/s1
InChIKeyPMNVRMOVGHHYDI-LJQANCHMSA-N
XLogP4.65
TPSA96.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.49
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[4-[4-amino-7-chloro-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]phenoxy]pyridine-3-carbonitrile
CID 134521416
3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]pyrazolo[4,5-c]pyridine-7-carbonitrile
CID 130409150
3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)pyrazolo[4,5-c]pyridine-7-carbonitrile
CID 130409151
1-[3-[3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-hydroxypyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 130247909
1-[(3R)-3-[3-[4-(3-fluorophenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 130247406
4-[7-cyano-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]-N-(6-fluoro-2-pyridinyl)benzamide
CID 134521496
1-[(3R)-3-[7-(2-aminoethoxy)-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 139465274
4-[7-fluoro-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]-N-(6-fluoro-2-pyridinyl)benzamide
CID 134521394
1-[3-[3-[4-(2-chloro-3-fluorophenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 130247399
4-[7-cyano-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,5-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 134521305
1-[(3R)-3-[3-[4-(2-fluoro-3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(2-fluoro-3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(2-methoxy-3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 158955455
1-[(3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-7-propan-2-yloxypyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 130247993

Frequently Asked Questions

What is the IUPAC name of 4-[4-[7-fluoro-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]phenoxy]pyridine-3-carbonitrile?
The IUPAC name of 4-[4-[7-fluoro-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]phenoxy]pyridine-3-carbonitrile (CID 134521449) is 4-[4-[7-fluoro-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]phenoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[4-[7-fluoro-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]phenoxy]pyridine-3-carbonitrile?
The canonical SMILES for 4-[4-[7-fluoro-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]phenoxy]pyridine-3-carbonitrile is C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccncc4C#N)cc3)c3cncc(F)c32)C1.
What is the InChIKey of 4-[4-[7-fluoro-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]phenoxy]pyridine-3-carbonitrile?
The InChIKey is PMNVRMOVGHHYDI-LJQANCHMSA-N. The full InChI is InChI=1S/C26H21FN6O2/c1-2-24(34)32-11-3-4-19(16-32)33-26-21(14-30-15-22(26)27)25(31-33)17-5-7-20(8-6-17)35-23-9-10-29-13-18(23)12-28/h2,5-10,13-15,19H,1,3-4,11,16H2/t19-/m1/s1.
What are the key properties of 4-[4-[7-fluoro-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]phenoxy]pyridine-3-carbonitrile?
4-[4-[7-fluoro-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]phenoxy]pyridine-3-carbonitrile has a molecular weight of 468.49 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[7-fluoro-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]phenoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 134521449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).