N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-4-hydroxypiperidine-1-carboxamide

C22H24F2N6O2 — CID 146612368

IUPACN-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-4-hydroxypiperidine-1-carboxamide
SMILESO=C(Nc1cnc2[nH]nc(N3CCC[C@@H]3c3cc(F)ccc3F)c2c1)N1CCC(O)CC1
InChIInChI=1S/C22H24F2N6O2/c23-13-3-4-18(24)16(10-13)19-2-1-7-30(19)21-17-11-14(12-25-20(17)27-28-21)26-22(32)29-8-5-15(31)6-9-29/h3-4,10-12,15,19,31H,1-2,5-9H2,(H,26,32)(H,25,27,28)/t19-/m1/s1
InChIKeyHDWDBIARNLZUMG-LJQANCHMSA-N
MW442.47 g/mol
LogP3.57
Rot. Bonds3

About N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-4-hydroxypiperidine-1-carboxamide

N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-4-hydroxypiperidine-1-carboxamide (PubChem CID 146612368) has the molecular formula C22H24F2N6O2 and a molecular weight of 442.47 g/mol. Its IUPAC name is N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-4-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-4-hydroxypiperidine-1-carboxamide
PubChem CID146612368
Molecular FormulaC22H24F2N6O2
Molecular Weight442.47 g/mol
Exact Mass442.19
IUPAC NameN-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-4-hydroxypiperidine-1-carboxamide
SMILESO=C(Nc1cnc2[nH]nc(N3CCC[C@@H]3c3cc(F)ccc3F)c2c1)N1CCC(O)CC1
InChIInChI=1S/C22H24F2N6O2/c23-13-3-4-18(24)16(10-13)19-2-1-7-30(19)21-17-11-14(12-25-20(17)27-28-21)26-22(32)29-8-5-15(31)6-9-29/h3-4,10-12,15,19,31H,1-2,5-9H2,(H,26,32)(H,25,27,28)/t19-/m1/s1
InChIKeyHDWDBIARNLZUMG-LJQANCHMSA-N
XLogP3.57
TPSA97.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboxamide
CID 146612385
(3S)-N-[3-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-hydroxypyrrolidine-1-sulfinamide
CID 146611981
3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N,N-dimethyl-1H-pyrazolo[5,4-b]pyridine-5-carboxamide
CID 146612387
3-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-pyridin-2-yl-1H-pyrazolo[5,4-b]pyridine-5-carboxamide
CID 166876606
1-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbutan-1-one
CID 165001860
1-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-2-(2-hydroxyethoxy)ethanone
CID 165017268
1-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-2-[6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]ethanone
CID 165094075
1-[(5R)-5-(2,5-difluorophenyl)-1-[5-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyrazolo[5,4-b]pyridin-3-yl]pyrrolidin-3-yl]-3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N,N-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 167057717
(3R)-N-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-hydroxypyrrolidine-1-carboxamide;hydrochloride
CID 67307161
(3S)-N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide
CID 131983469
N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide;hydrochloride
CID 140791156
N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide;hydrobromide
CID 140872549

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-4-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-4-hydroxypiperidine-1-carboxamide (CID 146612368) is N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-4-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-4-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-4-hydroxypiperidine-1-carboxamide is O=C(Nc1cnc2[nH]nc(N3CCC[C@@H]3c3cc(F)ccc3F)c2c1)N1CCC(O)CC1.
What is the InChIKey of N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-4-hydroxypiperidine-1-carboxamide?
The InChIKey is HDWDBIARNLZUMG-LJQANCHMSA-N. The full InChI is InChI=1S/C22H24F2N6O2/c23-13-3-4-18(24)16(10-13)19-2-1-7-30(19)21-17-11-14(12-25-20(17)27-28-21)26-22(32)29-8-5-15(31)6-9-29/h3-4,10-12,15,19,31H,1-2,5-9H2,(H,26,32)(H,25,27,28)/t19-/m1/s1.
What are the key properties of N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-4-hydroxypiperidine-1-carboxamide?
N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-4-hydroxypiperidine-1-carboxamide has a molecular weight of 442.47 g/mol, XLogP of 3.57, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-4-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 146612368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).