N-[3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-4,5-dimethylpyrazolidine-3-carboxamide

C18H19FN6O — CID 146012238

IUPACN-[3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-4,5-dimethylpyrazolidine-3-carboxamide
SMILESCC1NNC(C(=O)Nc2cnc3n[nH]c(-c4ccc(F)cc4)c3c2)C1C
InChIInChI=1S/C18H19FN6O/c1-9-10(2)22-23-15(9)18(26)21-13-7-14-16(24-25-17(14)20-8-13)11-3-5-12(19)6-4-11/h3-10,15,22-23H,1-2H3,(H,21,26)(H,20,24,25)
InChIKeyUKENYRSTRYCCCA-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.20
Rot. Bonds3

About N-[3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-4,5-dimethylpyrazolidine-3-carboxamide

N-[3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-4,5-dimethylpyrazolidine-3-carboxamide (PubChem CID 146012238) has the molecular formula C18H19FN6O and a molecular weight of 354.39 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-4,5-dimethylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-4,5-dimethylpyrazolidine-3-carboxamide
PubChem CID146012238
Molecular FormulaC18H19FN6O
Molecular Weight354.39 g/mol
Exact Mass354.16
IUPAC NameN-[3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-4,5-dimethylpyrazolidine-3-carboxamide
SMILESCC1NNC(C(=O)Nc2cnc3n[nH]c(-c4ccc(F)cc4)c3c2)C1C
InChIInChI=1S/C18H19FN6O/c1-9-10(2)22-23-15(9)18(26)21-13-7-14-16(24-25-17(14)20-8-13)11-3-5-12(19)6-4-11/h3-10,15,22-23H,1-2H3,(H,21,26)(H,20,24,25)
InChIKeyUKENYRSTRYCCCA-UHFFFAOYSA-N
XLogP2.20
TPSA94.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[3-(3,5-difluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2,6-difluorobenzamide
CID 89283875
3-amino-N-[3-(4-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2,6-difluorocyclohexa-1,3-diene-1-carboxamide
CID 70258546
N-[5-(4-fluorophenyl)-4-iodo-1H-pyrazol-3-yl]acetamide
CID 134202702
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 139010453
1-(2,4-difluorobenzoyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide
CID 86843317
5-bromo-3-(4-fluorophenyl)-2H-pyrazolo[3,4-c]pyridazine
CID 78166509
1-(3,5-difluorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 86843582
N-[5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 137041335
N-[5-[3-[4-[3-[amino(methylsulfonyl)methyl]-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 138604051
N-[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 137310834
N-[5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137310881
N-[5-[3-[4-[3-[amino(methylsulfonyl)methyl]-5-fluorophenyl]-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 137280799

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-4,5-dimethylpyrazolidine-3-carboxamide?
The IUPAC name of N-[3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-4,5-dimethylpyrazolidine-3-carboxamide (CID 146012238) is N-[3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-4,5-dimethylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-4,5-dimethylpyrazolidine-3-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-4,5-dimethylpyrazolidine-3-carboxamide is CC1NNC(C(=O)Nc2cnc3n[nH]c(-c4ccc(F)cc4)c3c2)C1C.
What is the InChIKey of N-[3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-4,5-dimethylpyrazolidine-3-carboxamide?
The InChIKey is UKENYRSTRYCCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O/c1-9-10(2)22-23-15(9)18(26)21-13-7-14-16(24-25-17(14)20-8-13)11-3-5-12(19)6-4-11/h3-10,15,22-23H,1-2H3,(H,21,26)(H,20,24,25).
What are the key properties of N-[3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-4,5-dimethylpyrazolidine-3-carboxamide?
N-[3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-4,5-dimethylpyrazolidine-3-carboxamide has a molecular weight of 354.39 g/mol, XLogP of 2.20, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-4,5-dimethylpyrazolidine-3-carboxamide is sourced from PubChem (CID 146012238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).