N-[1-[2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]acetyl]pyrrolidin-3-yl]acetamide

C21H20F3N5O2 — CID 155411454

IUPACN-[1-[2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]acetyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)C1
InChIInChI=1S/C21H20F3N5O2/c1-12(30)27-15-4-5-28(10-15)20(31)11-29-19-7-14(8-25-18(19)9-26-29)13-2-3-17(22)16(6-13)21(23)24/h2-3,6-9,15,21H,4-5,10-11H2,1H3,(H,27,30)
InChIKeyDISGOKISDJFCDK-UHFFFAOYSA-N
MW431.42 g/mol
LogP2.91
Rot. Bonds5

About N-[1-[2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]acetyl]pyrrolidin-3-yl]acetamide

N-[1-[2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]acetyl]pyrrolidin-3-yl]acetamide (PubChem CID 155411454) has the molecular formula C21H20F3N5O2 and a molecular weight of 431.42 g/mol. Its IUPAC name is N-[1-[2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]acetyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]acetyl]pyrrolidin-3-yl]acetamide
PubChem CID155411454
Molecular FormulaC21H20F3N5O2
Molecular Weight431.42 g/mol
Exact Mass431.16
IUPAC NameN-[1-[2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]acetyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)C1
InChIInChI=1S/C21H20F3N5O2/c1-12(30)27-15-4-5-28(10-15)20(31)11-29-19-7-14(8-25-18(19)9-26-29)13-2-3-17(22)16(6-13)21(23)24/h2-3,6-9,15,21H,4-5,10-11H2,1H3,(H,27,30)
InChIKeyDISGOKISDJFCDK-UHFFFAOYSA-N
XLogP2.91
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-pyrazol-3-yl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
CID 11049209
7-[[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide
CID 54671062
N-[[5-(2,6-difluorophenyl)-2-pyridinyl]methyl]-2-(12-fluoro-5,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,10(15),11,13-hexaen-16-yl)acetamide
CID 121277778
1-(2-{4-[1-(4-Fluoro-phenyl)-5-(2-methyl-2H-pyrazol-3-yl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
CID 11016395
1-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-pyrazol-4-yl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
CID 11812916
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]pyrazine-2-carboxamide
CID 16190969
2-[7-[[2-(2,5-Difluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetamide
CID 54670694
2-[7-[[2-(2,5-Difluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide
CID 54670695
7-(2-(2,5-difluorophenyl)pyridin-4-ylamino)-N-ethyl-1H-pyrazolo[4,3-b]pyridine-1-carboxamide
CID 54670783
7-[[2-(2,5-difluorophenyl)-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide
CID 54670784
1-[6-[(2,4-difluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-c]pyridin-1-yl]-2-[(2R,5R)-2-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-5-methylpiperazin-1-yl]ethanone
CID 90231983
1-(6-benzyl-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-2-[(2R,5R)-2-[(4-fluoropyrazol-1-yl)methyl]-5-methylpiperazin-1-yl]ethanone
CID 90232067

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]acetyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-[2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]acetyl]pyrrolidin-3-yl]acetamide (CID 155411454) is N-[1-[2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]acetyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]acetyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-[2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]acetyl]pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(C(=O)Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)C1.
What is the InChIKey of N-[1-[2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]acetyl]pyrrolidin-3-yl]acetamide?
The InChIKey is DISGOKISDJFCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O2/c1-12(30)27-15-4-5-28(10-15)20(31)11-29-19-7-14(8-25-18(19)9-26-29)13-2-3-17(22)16(6-13)21(23)24/h2-3,6-9,15,21H,4-5,10-11H2,1H3,(H,27,30).
What are the key properties of N-[1-[2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]acetyl]pyrrolidin-3-yl]acetamide?
N-[1-[2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]acetyl]pyrrolidin-3-yl]acetamide has a molecular weight of 431.42 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]acetyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 155411454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).