(3R)-N-[3-[5-(5-azaspiro[2.3]hexan-5-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]-3-fluoropyrrolidine-1-carboxamide

C22H22F2N6O — CID 137352567

IUPAC(3R)-N-[3-[5-(5-azaspiro[2.3]hexan-5-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]-3-fluoropyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(-n2cc3cc(N4CC5(CC5)C4)cnc3n2)c1)N1CC[C@@H](F)C1
InChIInChI=1S/C22H22F2N6O/c23-15-3-6-28(11-15)21(31)26-16-1-2-18(24)19(8-16)30-10-14-7-17(9-25-20(14)27-30)29-12-22(13-29)4-5-22/h1-2,7-10,15H,3-6,11-13H2,(H,26,31)/t15-/m1/s1
InChIKeyUHHAQLFAJJTGAS-OAHLLOKOSA-N
MW424.46 g/mol
LogP3.74
Rot. Bonds3

About (3R)-N-[3-[5-(5-azaspiro[2.3]hexan-5-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]-3-fluoropyrrolidine-1-carboxamide

(3R)-N-[3-[5-(5-azaspiro[2.3]hexan-5-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]-3-fluoropyrrolidine-1-carboxamide (PubChem CID 137352567) has the molecular formula C22H22F2N6O and a molecular weight of 424.46 g/mol. Its IUPAC name is (3R)-N-[3-[5-(5-azaspiro[2.3]hexan-5-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]-3-fluoropyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[3-[5-(5-azaspiro[2.3]hexan-5-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]-3-fluoropyrrolidine-1-carboxamide
PubChem CID137352567
Molecular FormulaC22H22F2N6O
Molecular Weight424.46 g/mol
Exact Mass424.18
IUPAC Name(3R)-N-[3-[5-(5-azaspiro[2.3]hexan-5-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]-3-fluoropyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(-n2cc3cc(N4CC5(CC5)C4)cnc3n2)c1)N1CC[C@@H](F)C1
InChIInChI=1S/C22H22F2N6O/c23-15-3-6-28(11-15)21(31)26-16-1-2-18(24)19(8-16)30-10-14-7-17(9-25-20(14)27-30)29-12-22(13-29)4-5-22/h1-2,7-10,15H,3-6,11-13H2,(H,26,31)/t15-/m1/s1
InChIKeyUHHAQLFAJJTGAS-OAHLLOKOSA-N
XLogP3.74
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-N-[3-[5-(5-azaspiro[2.3]hexan-5-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]-3-fluoropyrrolidine-1-carboxamide with MolForge

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Related Compounds

N-[3-[5-(azetidin-1-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]-3-fluoroazetidine-1-carboxamide
CID 142487125
trans-(1R,2S)-N-[3-[5-(5-azaspiro[2.3]hexan-5-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]-2-fluorocyclopropane-1-carboxamide
CID 142487121
(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
(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
N-[3-(5-cyclopropylpyrazolo[3,4-b]pyridin-2-yl)-4-fluorophenyl]azetidine-1-carboxamide
CID 142486932
3-fluoro-N-[4-fluoro-3-[5-(5-fluoro-2-pyridinyl)pyrazolo[3,4-b]pyridin-2-yl]phenyl]azetidine-1-carboxamide
CID 142487118
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-[4-fluoro-3-[5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[3,4-b]pyridin-2-yl]phenyl]azetidine-1-carboxamide
CID 137352273
N-[3-[5-(3,3-difluoroazetidin-1-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]cyclopropanecarboxamide;2,2-difluorobutane;fluoromethane
CID 142486923
N-[3-[5-(cyclobutylmethyl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]azetidine-1-carboxamide
CID 142487124

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-[5-(5-azaspiro[2.3]hexan-5-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]-3-fluoropyrrolidine-1-carboxamide?
The IUPAC name of (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) is (3R)-N-[3-[5-(5-azaspiro[2.3]hexan-5-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]-3-fluoropyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[3-[5-(5-azaspiro[2.3]hexan-5-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]-3-fluoropyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-[3-[5-(5-azaspiro[2.3]hexan-5-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]-3-fluoropyrrolidine-1-carboxamide is O=C(Nc1ccc(F)c(-n2cc3cc(N4CC5(CC5)C4)cnc3n2)c1)N1CC[C@@H](F)C1.
What is the InChIKey of (3R)-N-[3-[5-(5-azaspiro[2.3]hexan-5-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]-3-fluoropyrrolidine-1-carboxamide?
The InChIKey is UHHAQLFAJJTGAS-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H22F2N6O/c23-15-3-6-28(11-15)21(31)26-16-1-2-18(24)19(8-16)30-10-14-7-17(9-25-20(14)27-30)29-12-22(13-29)4-5-22/h1-2,7-10,15H,3-6,11-13H2,(H,26,31)/t15-/m1/s1.
What are the key properties of (3R)-N-[3-[5-(5-azaspiro[2.3]hexan-5-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]-3-fluoropyrrolidine-1-carboxamide?
(3R)-N-[3-[5-(5-azaspiro[2.3]hexan-5-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]-3-fluoropyrrolidine-1-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 3.74, 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-(5-azaspiro[2.3]hexan-5-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]-3-fluoropyrrolidine-1-carboxamide is sourced from PubChem (CID 137352567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).