N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide

C26H23FN8O — CID 118537097

IUPACN-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESCn1cc(-c2ccc3nc(NC(=O)c4ccc(N5CCCC5)cn4)cn3n2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C26H23FN8O/c1-33-15-20(25(32-33)17-4-6-18(27)7-5-17)21-10-11-24-29-23(16-35(24)31-21)30-26(36)22-9-8-19(14-28-22)34-12-2-3-13-34/h4-11,14-16H,2-3,12-13H2,1H3,(H,30,36)
InChIKeyFWRKAEILSWNTRG-UHFFFAOYSA-N
MW482.52 g/mol
LogP4.18
Rot. Bonds5

About N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide

N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide (PubChem CID 118537097) has the molecular formula C26H23FN8O and a molecular weight of 482.52 g/mol. Its IUPAC name is N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide
PubChem CID118537097
Molecular FormulaC26H23FN8O
Molecular Weight482.52 g/mol
Exact Mass482.20
IUPAC NameN-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESCn1cc(-c2ccc3nc(NC(=O)c4ccc(N5CCCC5)cn4)cn3n2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C26H23FN8O/c1-33-15-20(25(32-33)17-4-6-18(27)7-5-17)21-10-11-24-29-23(16-35(24)31-21)30-26(36)22-9-8-19(14-28-22)34-12-2-3-13-34/h4-11,14-16H,2-3,12-13H2,1H3,(H,30,36)
InChIKeyFWRKAEILSWNTRG-UHFFFAOYSA-N
XLogP4.18
TPSA93.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide?
The IUPAC name of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide (CID 118537097) is N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide is Cn1cc(-c2ccc3nc(NC(=O)c4ccc(N5CCCC5)cn4)cn3n2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide?
The InChIKey is FWRKAEILSWNTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN8O/c1-33-15-20(25(32-33)17-4-6-18(27)7-5-17)21-10-11-24-29-23(16-35(24)31-21)30-26(36)22-9-8-19(14-28-22)34-12-2-3-13-34/h4-11,14-16H,2-3,12-13H2,1H3,(H,30,36).
What are the key properties of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide?
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide has a molecular weight of 482.52 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 118537097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).