(3R)-N-[3-[5-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]-3-fluoropyrrolidine-1-carboxamide

C22H21F2N5O2 — CID 142486956

IUPAC(3R)-N-[3-[5-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]-3-fluoropyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(-n2cc3cc(C4=CCOCC4)cnc3n2)c1)N1CC[C@@H](F)C1
InChIInChI=1S/C22H21F2N5O2/c23-17-3-6-28(13-17)22(30)26-18-1-2-19(24)20(10-18)29-12-16-9-15(11-25-21(16)27-29)14-4-7-31-8-5-14/h1-2,4,9-12,17H,3,5-8,13H2,(H,26,30)/t17-/m1/s1
InChIKeyYYFCTBDOUQQOAA-QGZVFWFLSA-N
MW425.44 g/mol
LogP3.94
Rot. Bonds3

About (3R)-N-[3-[5-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]-3-fluoropyrrolidine-1-carboxamide

(3R)-N-[3-[5-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]-3-fluoropyrrolidine-1-carboxamide (PubChem CID 142486956) has the molecular formula C22H21F2N5O2 and a molecular weight of 425.44 g/mol. Its IUPAC name is (3R)-N-[3-[5-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]-3-fluoropyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[3-[5-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]-3-fluoropyrrolidine-1-carboxamide
PubChem CID142486956
Molecular FormulaC22H21F2N5O2
Molecular Weight425.44 g/mol
Exact Mass425.17
IUPAC Name(3R)-N-[3-[5-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]-3-fluoropyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(-n2cc3cc(C4=CCOCC4)cnc3n2)c1)N1CC[C@@H](F)C1
InChIInChI=1S/C22H21F2N5O2/c23-17-3-6-28(13-17)22(30)26-18-1-2-19(24)20(10-18)29-12-16-9-15(11-25-21(16)27-29)14-4-7-31-8-5-14/h1-2,4,9-12,17H,3,5-8,13H2,(H,26,30)/t17-/m1/s1
InChIKeyYYFCTBDOUQQOAA-QGZVFWFLSA-N
XLogP3.94
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-N-[3-[5-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]-3-fluoropyrrolidine-1-carboxamide with MolForge

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Related Compounds

(3R)-3-fluoro-N-[4-fluoro-3-[5-(trifluoromethyl)pyrazolo[3,4-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide
CID 146465457
N-[3-(5-chloropyrazolo[3,4-b]pyridin-2-yl)-4-fluorophenyl]-3-fluoroazetidine-1-carboxamide
CID 142487033
3-fluoro-N-[4-fluoro-3-[5-(5-fluoro-2-pyridinyl)pyrazolo[3,4-b]pyridin-2-yl]phenyl]azetidine-1-carboxamide
CID 142487118
(3R)-N-[3-[5-(5-azaspiro[2.3]hexan-5-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]-3-fluoropyrrolidine-1-carboxamide
CID 137352567
N-[3-[5-(azetidin-1-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]-3-fluoroazetidine-1-carboxamide
CID 142487125
N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]-3-methylpyrrolidine-1-carboxamide
CID 164812160
N-[3-[5-[bis(trideuteriomethyl)amino]pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]-3-fluoroazetidine-1-carboxamide
CID 151607421
N-[3-(5-cyclopropylpyrazolo[3,4-b]pyridin-2-yl)-4-fluorophenyl]azetidine-1-carboxamide
CID 142486932
N-[3-[5-(cyclobutylmethyl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]azetidine-1-carboxamide
CID 142487124
N-[4-fluoro-3-[5-(3-methyl-2-pyridinyl)pyrazolo[3,4-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide
CID 167133598
N-[4-fluoro-3-[5-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyridin-2-yl]phenyl]azetidine-1-carboxamide
CID 142487092
N-[4-fluoro-3-[5-(2-methylpropyl)pyrazolo[3,4-b]pyridin-2-yl]phenyl]azetidine-1-carboxamide
CID 137352878

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-[5-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]-3-fluoropyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-[3-[5-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]-3-fluoropyrrolidine-1-carboxamide (CID 142486956) is (3R)-N-[3-[5-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]-3-fluoropyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[3-[5-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]-3-fluoropyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-[3-[5-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]-3-fluoropyrrolidine-1-carboxamide is O=C(Nc1ccc(F)c(-n2cc3cc(C4=CCOCC4)cnc3n2)c1)N1CC[C@@H](F)C1.
What is the InChIKey of (3R)-N-[3-[5-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]-3-fluoropyrrolidine-1-carboxamide?
The InChIKey is YYFCTBDOUQQOAA-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H21F2N5O2/c23-17-3-6-28(13-17)22(30)26-18-1-2-19(24)20(10-18)29-12-16-9-15(11-25-21(16)27-29)14-4-7-31-8-5-14/h1-2,4,9-12,17H,3,5-8,13H2,(H,26,30)/t17-/m1/s1.
What are the key properties of (3R)-N-[3-[5-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]-3-fluoropyrrolidine-1-carboxamide?
(3R)-N-[3-[5-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]-3-fluoropyrrolidine-1-carboxamide has a molecular weight of 425.44 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3-[5-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]-3-fluoropyrrolidine-1-carboxamide is sourced from PubChem (CID 142486956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).