N-[5-[1-(2-fluoro-2-methylpropyl)pyrazolo[4,3-c]pyridin-6-yl]-1H-pyrazol-4-yl]pyrrolo[1,2-a]pyrazine-8-carboxamide

C21H19FN8O — CID 177037851

IUPACN-[5-[1-(2-fluoro-2-methylpropyl)pyrazolo[4,3-c]pyridin-6-yl]-1H-pyrazol-4-yl]pyrrolo[1,2-a]pyrazine-8-carboxamide
SMILESCC(C)(F)Cn1ncc2cnc(-c3[nH]ncc3NC(=O)c3ccn4ccncc34)cc21
InChIInChI=1S/C21H19FN8O/c1-21(2,22)12-30-17-7-15(24-8-13(17)9-26-30)19-16(10-25-28-19)27-20(31)14-3-5-29-6-4-23-11-18(14)29/h3-11H,12H2,1-2H3,(H,25,28)(H,27,31)
InChIKeyJFOBEUQTSNNNNC-UHFFFAOYSA-N
MW418.44 g/mol
LogP3.47
Rot. Bonds5

About N-[5-[1-(2-fluoro-2-methylpropyl)pyrazolo[4,3-c]pyridin-6-yl]-1H-pyrazol-4-yl]pyrrolo[1,2-a]pyrazine-8-carboxamide

N-[5-[1-(2-fluoro-2-methylpropyl)pyrazolo[4,3-c]pyridin-6-yl]-1H-pyrazol-4-yl]pyrrolo[1,2-a]pyrazine-8-carboxamide (PubChem CID 177037851) has the molecular formula C21H19FN8O and a molecular weight of 418.44 g/mol. Its IUPAC name is N-[5-[1-(2-fluoro-2-methylpropyl)pyrazolo[4,3-c]pyridin-6-yl]-1H-pyrazol-4-yl]pyrrolo[1,2-a]pyrazine-8-carboxamide.

Molecular Properties

Compound NameN-[5-[1-(2-fluoro-2-methylpropyl)pyrazolo[4,3-c]pyridin-6-yl]-1H-pyrazol-4-yl]pyrrolo[1,2-a]pyrazine-8-carboxamide
PubChem CID177037851
Molecular FormulaC21H19FN8O
Molecular Weight418.44 g/mol
Exact Mass418.17
IUPAC NameN-[5-[1-(2-fluoro-2-methylpropyl)pyrazolo[4,3-c]pyridin-6-yl]-1H-pyrazol-4-yl]pyrrolo[1,2-a]pyrazine-8-carboxamide
SMILESCC(C)(F)Cn1ncc2cnc(-c3[nH]ncc3NC(=O)c3ccn4ccncc34)cc21
InChIInChI=1S/C21H19FN8O/c1-21(2,22)12-30-17-7-15(24-8-13(17)9-26-30)19-16(10-25-28-19)27-20(31)14-3-5-29-6-4-23-11-18(14)29/h3-11H,12H2,1-2H3,(H,25,28)(H,27,31)
InChIKeyJFOBEUQTSNNNNC-UHFFFAOYSA-N
XLogP3.47
TPSA105.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.44
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-[1-(2-fluoro-2-methylpropyl)pyrazolo[4,3-c]pyridin-6-yl]-1H-pyrazol-4-yl]pyrrolo[1,2-a]pyrazine-8-carboxamide with MolForge

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Related Compounds

N-[2-Fluoro-5-[[3-[(1E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 9934283
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(1H-pyrazol-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280160
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxamide
CID 15958784
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-N-methyl-1H-pyrazole-5-carboxamide
CID 15958785
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-N,N-dimethyl-1H-pyrazole-5-carboxamide
CID 15958786
1-(4-benzoylpiperazin-1-yl)-2-[7-(triazol-2-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958907
1-(4-benzoylpiperazin-1-yl)-2-(7-pyrazol-1-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethane-1,2-dione
CID 15958910
1-[(3R)-4-benzoyl-3-methyl-piperazin-1-yl]-2-[7-(triazol-2-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958913
1-[(3R)-4-benzoyl-3-methyl-piperazin-1-yl]-2-[7-(3-methylpyrazol-1-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958914
N-[2-methyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]-3-pyridinyl]-6-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71283495
N-(5-(2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl)-2-methylpyridin-3-yl)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo(1,5-a)pyridine-3-carboxamide
CID 71283628
US10022354, Example 69
CID 121279703

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(2-fluoro-2-methylpropyl)pyrazolo[4,3-c]pyridin-6-yl]-1H-pyrazol-4-yl]pyrrolo[1,2-a]pyrazine-8-carboxamide?
The IUPAC name of N-[5-[1-(2-fluoro-2-methylpropyl)pyrazolo[4,3-c]pyridin-6-yl]-1H-pyrazol-4-yl]pyrrolo[1,2-a]pyrazine-8-carboxamide (CID 177037851) is N-[5-[1-(2-fluoro-2-methylpropyl)pyrazolo[4,3-c]pyridin-6-yl]-1H-pyrazol-4-yl]pyrrolo[1,2-a]pyrazine-8-carboxamide.
What is the SMILES notation for N-[5-[1-(2-fluoro-2-methylpropyl)pyrazolo[4,3-c]pyridin-6-yl]-1H-pyrazol-4-yl]pyrrolo[1,2-a]pyrazine-8-carboxamide?
The canonical SMILES for N-[5-[1-(2-fluoro-2-methylpropyl)pyrazolo[4,3-c]pyridin-6-yl]-1H-pyrazol-4-yl]pyrrolo[1,2-a]pyrazine-8-carboxamide is CC(C)(F)Cn1ncc2cnc(-c3[nH]ncc3NC(=O)c3ccn4ccncc34)cc21.
What is the InChIKey of N-[5-[1-(2-fluoro-2-methylpropyl)pyrazolo[4,3-c]pyridin-6-yl]-1H-pyrazol-4-yl]pyrrolo[1,2-a]pyrazine-8-carboxamide?
The InChIKey is JFOBEUQTSNNNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN8O/c1-21(2,22)12-30-17-7-15(24-8-13(17)9-26-30)19-16(10-25-28-19)27-20(31)14-3-5-29-6-4-23-11-18(14)29/h3-11H,12H2,1-2H3,(H,25,28)(H,27,31).
What are the key properties of N-[5-[1-(2-fluoro-2-methylpropyl)pyrazolo[4,3-c]pyridin-6-yl]-1H-pyrazol-4-yl]pyrrolo[1,2-a]pyrazine-8-carboxamide?
N-[5-[1-(2-fluoro-2-methylpropyl)pyrazolo[4,3-c]pyridin-6-yl]-1H-pyrazol-4-yl]pyrrolo[1,2-a]pyrazine-8-carboxamide has a molecular weight of 418.44 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(2-fluoro-2-methylpropyl)pyrazolo[4,3-c]pyridin-6-yl]-1H-pyrazol-4-yl]pyrrolo[1,2-a]pyrazine-8-carboxamide is sourced from PubChem (CID 177037851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).