N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-2-morpholin-4-ylbenzamide

C25H22FN7O3 — CID 59528125

IUPACN-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-2-morpholin-4-ylbenzamide
SMILESCOc1ccn2ncc(-c3nc4[nH]nc(NC(=O)c5ccccc5N5CCOCC5)c4cc3F)c2c1
InChIInChI=1S/C25H22FN7O3/c1-35-15-6-7-33-21(12-15)18(14-27-33)22-19(26)13-17-23(28-22)30-31-24(17)29-25(34)16-4-2-3-5-20(16)32-8-10-36-11-9-32/h2-7,12-14H,8-11H2,1H3,(H2,28,29,30,31,34)
InChIKeyGPUHUYMKDIEHCL-UHFFFAOYSA-N
MW487.50 g/mol
LogP3.51
Rot. Bonds5

About N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-2-morpholin-4-ylbenzamide

N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-2-morpholin-4-ylbenzamide (PubChem CID 59528125) has the molecular formula C25H22FN7O3 and a molecular weight of 487.50 g/mol. Its IUPAC name is N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-2-morpholin-4-ylbenzamide
PubChem CID59528125
Molecular FormulaC25H22FN7O3
Molecular Weight487.50 g/mol
Exact Mass487.18
IUPAC NameN-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-2-morpholin-4-ylbenzamide
SMILESCOc1ccn2ncc(-c3nc4[nH]nc(NC(=O)c5ccccc5N5CCOCC5)c4cc3F)c2c1
InChIInChI=1S/C25H22FN7O3/c1-35-15-6-7-33-21(12-15)18(14-27-33)22-19(26)13-17-23(28-22)30-31-24(17)29-25(34)16-4-2-3-5-20(16)32-8-10-36-11-9-32/h2-7,12-14H,8-11H2,1H3,(H2,28,29,30,31,34)
InChIKeyGPUHUYMKDIEHCL-UHFFFAOYSA-N
XLogP3.51
TPSA109.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.50
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-2-morpholin-4-ylbenzamide?
The IUPAC name of N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-2-morpholin-4-ylbenzamide (CID 59528125) is N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-2-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-2-morpholin-4-ylbenzamide?
The canonical SMILES for N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-2-morpholin-4-ylbenzamide is COc1ccn2ncc(-c3nc4[nH]nc(NC(=O)c5ccccc5N5CCOCC5)c4cc3F)c2c1.
What is the InChIKey of N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-2-morpholin-4-ylbenzamide?
The InChIKey is GPUHUYMKDIEHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN7O3/c1-35-15-6-7-33-21(12-15)18(14-27-33)22-19(26)13-17-23(28-22)30-31-24(17)29-25(34)16-4-2-3-5-20(16)32-8-10-36-11-9-32/h2-7,12-14H,8-11H2,1H3,(H2,28,29,30,31,34).
What are the key properties of N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-2-morpholin-4-ylbenzamide?
N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-2-morpholin-4-ylbenzamide has a molecular weight of 487.50 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 59528125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).