N-[5-[7-[ethyl(methyl)amino]-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]formamide

C19H19FN6OS — CID 163221088

IUPACN-[5-[7-[ethyl(methyl)amino]-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]formamide
SMILESCCN(C)c1c(F)c(SC)c(-c2ccn3nc(NC=O)cc3c2)c2cn[nH]c12
InChIInChI=1S/C19H19FN6OS/c1-4-25(2)18-16(20)19(28-3)15(13-9-22-23-17(13)18)11-5-6-26-12(7-11)8-14(24-26)21-10-27/h5-10H,4H2,1-3H3,(H,22,23)(H,21,24,27)
InChIKeyIQIJKASBQVXLQI-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.76
Rot. Bonds6

About N-[5-[7-[ethyl(methyl)amino]-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]formamide

N-[5-[7-[ethyl(methyl)amino]-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]formamide (PubChem CID 163221088) has the molecular formula C19H19FN6OS and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[5-[7-[ethyl(methyl)amino]-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]formamide.

Molecular Properties

Compound NameN-[5-[7-[ethyl(methyl)amino]-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]formamide
PubChem CID163221088
Molecular FormulaC19H19FN6OS
Molecular Weight398.47 g/mol
Exact Mass398.13
IUPAC NameN-[5-[7-[ethyl(methyl)amino]-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]formamide
SMILESCCN(C)c1c(F)c(SC)c(-c2ccn3nc(NC=O)cc3c2)c2cn[nH]c12
InChIInChI=1S/C19H19FN6OS/c1-4-25(2)18-16(20)19(28-3)15(13-9-22-23-17(13)18)11-5-6-26-12(7-11)8-14(24-26)21-10-27/h5-10H,4H2,1-3H3,(H,22,23)(H,21,24,27)
InChIKeyIQIJKASBQVXLQI-UHFFFAOYSA-N
XLogP3.76
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[7-[ethyl(methyl)amino]-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]formamide?
The IUPAC name of N-[5-[7-[ethyl(methyl)amino]-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]formamide (CID 163221088) is N-[5-[7-[ethyl(methyl)amino]-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]formamide.
What is the SMILES notation for N-[5-[7-[ethyl(methyl)amino]-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]formamide?
The canonical SMILES for N-[5-[7-[ethyl(methyl)amino]-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]formamide is CCN(C)c1c(F)c(SC)c(-c2ccn3nc(NC=O)cc3c2)c2cn[nH]c12.
What is the InChIKey of N-[5-[7-[ethyl(methyl)amino]-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]formamide?
The InChIKey is IQIJKASBQVXLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6OS/c1-4-25(2)18-16(20)19(28-3)15(13-9-22-23-17(13)18)11-5-6-26-12(7-11)8-14(24-26)21-10-27/h5-10H,4H2,1-3H3,(H,22,23)(H,21,24,27).
What are the key properties of N-[5-[7-[ethyl(methyl)amino]-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]formamide?
N-[5-[7-[ethyl(methyl)amino]-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]formamide has a molecular weight of 398.47 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[7-[ethyl(methyl)amino]-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]formamide is sourced from PubChem (CID 163221088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).