2-[5-fluoro-3-[(4-methoxybenzoyl)amino]-6-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[3,4-b]pyridin-1-yl]ethyl acetate

C25H21FN6O4 — CID 59528143

IUPAC2-[5-fluoro-3-[(4-methoxybenzoyl)amino]-6-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[3,4-b]pyridin-1-yl]ethyl acetate
SMILESCOc1ccc(C(=O)Nc2nn(CCOC(C)=O)c3nc(-c4cnn5ccccc45)c(F)cc23)cc1
InChIInChI=1S/C25H21FN6O4/c1-15(33)36-12-11-32-24-18(23(30-32)29-25(34)16-6-8-17(35-2)9-7-16)13-20(26)22(28-24)19-14-27-31-10-4-3-5-21(19)31/h3-10,13-14H,11-12H2,1-2H3,(H,29,30,34)
InChIKeyOVPFFELWOYXNKM-UHFFFAOYSA-N
MW488.48 g/mol
LogP3.71
Rot. Bonds7

About 2-[5-fluoro-3-[(4-methoxybenzoyl)amino]-6-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[3,4-b]pyridin-1-yl]ethyl acetate

2-[5-fluoro-3-[(4-methoxybenzoyl)amino]-6-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[3,4-b]pyridin-1-yl]ethyl acetate (PubChem CID 59528143) has the molecular formula C25H21FN6O4 and a molecular weight of 488.48 g/mol. Its IUPAC name is 2-[5-fluoro-3-[(4-methoxybenzoyl)amino]-6-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[3,4-b]pyridin-1-yl]ethyl acetate.

Molecular Properties

Compound Name2-[5-fluoro-3-[(4-methoxybenzoyl)amino]-6-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[3,4-b]pyridin-1-yl]ethyl acetate
PubChem CID59528143
Molecular FormulaC25H21FN6O4
Molecular Weight488.48 g/mol
Exact Mass488.16
IUPAC Name2-[5-fluoro-3-[(4-methoxybenzoyl)amino]-6-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[3,4-b]pyridin-1-yl]ethyl acetate
SMILESCOc1ccc(C(=O)Nc2nn(CCOC(C)=O)c3nc(-c4cnn5ccccc45)c(F)cc23)cc1
InChIInChI=1S/C25H21FN6O4/c1-15(33)36-12-11-32-24-18(23(30-32)29-25(34)16-6-8-17(35-2)9-7-16)13-20(26)22(28-24)19-14-27-31-10-4-3-5-21(19)31/h3-10,13-14H,11-12H2,1-2H3,(H,29,30,34)
InChIKeyOVPFFELWOYXNKM-UHFFFAOYSA-N
XLogP3.71
TPSA112.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-3-[(4-methoxybenzoyl)amino]-6-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[3,4-b]pyridin-1-yl]ethyl acetate?
The IUPAC name of 2-[5-fluoro-3-[(4-methoxybenzoyl)amino]-6-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[3,4-b]pyridin-1-yl]ethyl acetate (CID 59528143) is 2-[5-fluoro-3-[(4-methoxybenzoyl)amino]-6-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[3,4-b]pyridin-1-yl]ethyl acetate.
What is the SMILES notation for 2-[5-fluoro-3-[(4-methoxybenzoyl)amino]-6-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[3,4-b]pyridin-1-yl]ethyl acetate?
The canonical SMILES for 2-[5-fluoro-3-[(4-methoxybenzoyl)amino]-6-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[3,4-b]pyridin-1-yl]ethyl acetate is COc1ccc(C(=O)Nc2nn(CCOC(C)=O)c3nc(-c4cnn5ccccc45)c(F)cc23)cc1.
What is the InChIKey of 2-[5-fluoro-3-[(4-methoxybenzoyl)amino]-6-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[3,4-b]pyridin-1-yl]ethyl acetate?
The InChIKey is OVPFFELWOYXNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN6O4/c1-15(33)36-12-11-32-24-18(23(30-32)29-25(34)16-6-8-17(35-2)9-7-16)13-20(26)22(28-24)19-14-27-31-10-4-3-5-21(19)31/h3-10,13-14H,11-12H2,1-2H3,(H,29,30,34).
What are the key properties of 2-[5-fluoro-3-[(4-methoxybenzoyl)amino]-6-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[3,4-b]pyridin-1-yl]ethyl acetate?
2-[5-fluoro-3-[(4-methoxybenzoyl)amino]-6-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[3,4-b]pyridin-1-yl]ethyl acetate has a molecular weight of 488.48 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-3-[(4-methoxybenzoyl)amino]-6-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[3,4-b]pyridin-1-yl]ethyl acetate is sourced from PubChem (CID 59528143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).