N-[6-[(1R)-1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

C22H21N9O — CID 59233231

IUPACN-[6-[(1R)-1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESC[C@H](c1ccc2nc(NC(=O)C3CC3)cn2n1)c1nnc2ccc(-c3cnn(C)c3)cn12
InChIInChI=1S/C22H21N9O/c1-13(17-6-8-19-24-18(12-31(19)28-17)25-22(32)14-3-4-14)21-27-26-20-7-5-15(11-30(20)21)16-9-23-29(2)10-16/h5-14H,3-4H2,1-2H3,(H,25,32)/t13-/m1/s1
InChIKeyWFSUAOWAVNRMCN-CYBMUJFWSA-N
MW427.47 g/mol
LogP2.67
Rot. Bonds5

About N-[6-[(1R)-1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

N-[6-[(1R)-1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 59233231) has the molecular formula C22H21N9O and a molecular weight of 427.47 g/mol. Its IUPAC name is N-[6-[(1R)-1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[(1R)-1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
PubChem CID59233231
Molecular FormulaC22H21N9O
Molecular Weight427.47 g/mol
Exact Mass427.19
IUPAC NameN-[6-[(1R)-1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESC[C@H](c1ccc2nc(NC(=O)C3CC3)cn2n1)c1nnc2ccc(-c3cnn(C)c3)cn12
InChIInChI=1S/C22H21N9O/c1-13(17-6-8-19-24-18(12-31(19)28-17)25-22(32)14-3-4-14)21-27-26-20-7-5-15(11-30(20)21)16-9-23-29(2)10-16/h5-14H,3-4H2,1-2H3,(H,25,32)/t13-/m1/s1
InChIKeyWFSUAOWAVNRMCN-CYBMUJFWSA-N
XLogP2.67
TPSA107.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[6-[(1R)-1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(1R)-1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[(1R)-1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 59233231) is N-[6-[(1R)-1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[(1R)-1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[(1R)-1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is C[C@H](c1ccc2nc(NC(=O)C3CC3)cn2n1)c1nnc2ccc(-c3cnn(C)c3)cn12.
What is the InChIKey of N-[6-[(1R)-1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The InChIKey is WFSUAOWAVNRMCN-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H21N9O/c1-13(17-6-8-19-24-18(12-31(19)28-17)25-22(32)14-3-4-14)21-27-26-20-7-5-15(11-30(20)21)16-9-23-29(2)10-16/h5-14H,3-4H2,1-2H3,(H,25,32)/t13-/m1/s1.
What are the key properties of N-[6-[(1R)-1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
N-[6-[(1R)-1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide has a molecular weight of 427.47 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(1R)-1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 59233231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).