N-[(3S,5R)-1-imidazo[1,2-b]pyridazin-6-yl-5-(pyrazol-1-ylmethyl)pyrrolidin-3-yl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide

C26H27N9O2 — CID 144738705

IUPACN-[(3S,5R)-1-imidazo[1,2-b]pyridazin-6-yl-5-(pyrazol-1-ylmethyl)pyrrolidin-3-yl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N[C@H]2C[C@H](Cn3cccn3)N(c3ccc4nccn4n3)C2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C26H27N9O2/c1-18-24(26(37)35(31(18)2)20-7-4-3-5-8-20)25(36)29-19-15-21(17-32-13-6-11-28-32)33(16-19)23-10-9-22-27-12-14-34(22)30-23/h3-14,19,21H,15-17H2,1-2H3,(H,29,36)/t19-,21+/m0/s1
InChIKeyLSXZAUWQGQAZFZ-PZJWPPBQSA-N
MW497.56 g/mol
LogP1.80
Rot. Bonds6

About N-[(3S,5R)-1-imidazo[1,2-b]pyridazin-6-yl-5-(pyrazol-1-ylmethyl)pyrrolidin-3-yl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide

N-[(3S,5R)-1-imidazo[1,2-b]pyridazin-6-yl-5-(pyrazol-1-ylmethyl)pyrrolidin-3-yl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide (PubChem CID 144738705) has the molecular formula C26H27N9O2 and a molecular weight of 497.56 g/mol. Its IUPAC name is N-[(3S,5R)-1-imidazo[1,2-b]pyridazin-6-yl-5-(pyrazol-1-ylmethyl)pyrrolidin-3-yl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S,5R)-1-imidazo[1,2-b]pyridazin-6-yl-5-(pyrazol-1-ylmethyl)pyrrolidin-3-yl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
PubChem CID144738705
Molecular FormulaC26H27N9O2
Molecular Weight497.56 g/mol
Exact Mass497.23
IUPAC NameN-[(3S,5R)-1-imidazo[1,2-b]pyridazin-6-yl-5-(pyrazol-1-ylmethyl)pyrrolidin-3-yl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N[C@H]2C[C@H](Cn3cccn3)N(c3ccc4nccn4n3)C2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C26H27N9O2/c1-18-24(26(37)35(31(18)2)20-7-4-3-5-8-20)25(36)29-19-15-21(17-32-13-6-11-28-32)33(16-19)23-10-9-22-27-12-14-34(22)30-23/h3-14,19,21H,15-17H2,1-2H3,(H,29,36)/t19-,21+/m0/s1
InChIKeyLSXZAUWQGQAZFZ-PZJWPPBQSA-N
XLogP1.80
TPSA107.28 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.56
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[(3S,5R)-1-imidazo[1,2-b]pyridazin-6-yl-5-(pyrazol-1-ylmethyl)pyrrolidin-3-yl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,5R)-1-imidazo[1,2-b]pyridazin-6-yl-5-(pyrazol-1-ylmethyl)pyrrolidin-3-yl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[(3S,5R)-1-imidazo[1,2-b]pyridazin-6-yl-5-(pyrazol-1-ylmethyl)pyrrolidin-3-yl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide (CID 144738705) is N-[(3S,5R)-1-imidazo[1,2-b]pyridazin-6-yl-5-(pyrazol-1-ylmethyl)pyrrolidin-3-yl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(3S,5R)-1-imidazo[1,2-b]pyridazin-6-yl-5-(pyrazol-1-ylmethyl)pyrrolidin-3-yl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[(3S,5R)-1-imidazo[1,2-b]pyridazin-6-yl-5-(pyrazol-1-ylmethyl)pyrrolidin-3-yl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide is Cc1c(C(=O)N[C@H]2C[C@H](Cn3cccn3)N(c3ccc4nccn4n3)C2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-[(3S,5R)-1-imidazo[1,2-b]pyridazin-6-yl-5-(pyrazol-1-ylmethyl)pyrrolidin-3-yl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide?
The InChIKey is LSXZAUWQGQAZFZ-PZJWPPBQSA-N. The full InChI is InChI=1S/C26H27N9O2/c1-18-24(26(37)35(31(18)2)20-7-4-3-5-8-20)25(36)29-19-15-21(17-32-13-6-11-28-32)33(16-19)23-10-9-22-27-12-14-34(22)30-23/h3-14,19,21H,15-17H2,1-2H3,(H,29,36)/t19-,21+/m0/s1.
What are the key properties of N-[(3S,5R)-1-imidazo[1,2-b]pyridazin-6-yl-5-(pyrazol-1-ylmethyl)pyrrolidin-3-yl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide?
N-[(3S,5R)-1-imidazo[1,2-b]pyridazin-6-yl-5-(pyrazol-1-ylmethyl)pyrrolidin-3-yl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide has a molecular weight of 497.56 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5R)-1-imidazo[1,2-b]pyridazin-6-yl-5-(pyrazol-1-ylmethyl)pyrrolidin-3-yl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 144738705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).