N-[6-fluoro-2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]thieno[3,2-b]pyridine-2-carboxamide

C26H23FN8O2S — CID 46223725

IUPACN-[6-fluoro-2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]thieno[3,2-b]pyridine-2-carboxamide
SMILESCc1c(-c2cc(Nc3cc4n(n3)CCN(C)C4)c(=O)[nH]n2)ccc(F)c1NC(=O)c1cc2ncccc2s1
InChIInChI=1S/C26H23FN8O2S/c1-14-16(5-6-17(27)24(14)30-26(37)22-12-19-21(38-22)4-3-7-28-19)18-11-20(25(36)32-31-18)29-23-10-15-13-34(2)8-9-35(15)33-23/h3-7,10-12H,8-9,13H2,1-2H3,(H,30,37)(H,32,36)(H,29,31,33)
InChIKeyKTOBNTQUYIOYAS-UHFFFAOYSA-N
MW530.59 g/mol
LogP4.13
Rot. Bonds5

About N-[6-fluoro-2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]thieno[3,2-b]pyridine-2-carboxamide

N-[6-fluoro-2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]thieno[3,2-b]pyridine-2-carboxamide (PubChem CID 46223725) has the molecular formula C26H23FN8O2S and a molecular weight of 530.59 g/mol. Its IUPAC name is N-[6-fluoro-2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]thieno[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-fluoro-2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]thieno[3,2-b]pyridine-2-carboxamide
PubChem CID46223725
Molecular FormulaC26H23FN8O2S
Molecular Weight530.59 g/mol
Exact Mass530.16
IUPAC NameN-[6-fluoro-2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]thieno[3,2-b]pyridine-2-carboxamide
SMILESCc1c(-c2cc(Nc3cc4n(n3)CCN(C)C4)c(=O)[nH]n2)ccc(F)c1NC(=O)c1cc2ncccc2s1
InChIInChI=1S/C26H23FN8O2S/c1-14-16(5-6-17(27)24(14)30-26(37)22-12-19-21(38-22)4-3-7-28-19)18-11-20(25(36)32-31-18)29-23-10-15-13-34(2)8-9-35(15)33-23/h3-7,10-12H,8-9,13H2,1-2H3,(H,30,37)(H,32,36)(H,29,31,33)
InChIKeyKTOBNTQUYIOYAS-UHFFFAOYSA-N
XLogP4.13
TPSA120.83 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.59
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[6-fluoro-2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]thieno[3,2-b]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-fluoro-2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]thieno[3,2-b]pyridine-2-carboxamide?
The IUPAC name of N-[6-fluoro-2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]thieno[3,2-b]pyridine-2-carboxamide (CID 46223725) is N-[6-fluoro-2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]thieno[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[6-fluoro-2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]thieno[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for N-[6-fluoro-2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]thieno[3,2-b]pyridine-2-carboxamide is Cc1c(-c2cc(Nc3cc4n(n3)CCN(C)C4)c(=O)[nH]n2)ccc(F)c1NC(=O)c1cc2ncccc2s1.
What is the InChIKey of N-[6-fluoro-2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]thieno[3,2-b]pyridine-2-carboxamide?
The InChIKey is KTOBNTQUYIOYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN8O2S/c1-14-16(5-6-17(27)24(14)30-26(37)22-12-19-21(38-22)4-3-7-28-19)18-11-20(25(36)32-31-18)29-23-10-15-13-34(2)8-9-35(15)33-23/h3-7,10-12H,8-9,13H2,1-2H3,(H,30,37)(H,32,36)(H,29,31,33).
What are the key properties of N-[6-fluoro-2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]thieno[3,2-b]pyridine-2-carboxamide?
N-[6-fluoro-2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]thieno[3,2-b]pyridine-2-carboxamide has a molecular weight of 530.59 g/mol, XLogP of 4.13, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-fluoro-2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]thieno[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 46223725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).