2-cyclopropyl-N-[4-(4-fluorophenyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide

C21H16FN5O — CID 134551973

IUPAC2-cyclopropyl-N-[4-(4-fluorophenyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide
SMILESO=C(Nc1cnccc1-c1ccc(F)cc1)c1ccnn2cc(C3CC3)nc12
InChIInChI=1S/C21H16FN5O/c22-15-5-3-13(4-6-15)16-7-9-23-11-18(16)26-21(28)17-8-10-24-27-12-19(14-1-2-14)25-20(17)27/h3-12,14H,1-2H2,(H,26,28)
InChIKeyVPGLALPDHBCDQS-UHFFFAOYSA-N
MW373.39 g/mol
LogP4.06
Rot. Bonds4

About 2-cyclopropyl-N-[4-(4-fluorophenyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide

2-cyclopropyl-N-[4-(4-fluorophenyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide (PubChem CID 134551973) has the molecular formula C21H16FN5O and a molecular weight of 373.39 g/mol. Its IUPAC name is 2-cyclopropyl-N-[4-(4-fluorophenyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[4-(4-fluorophenyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide
PubChem CID134551973
Molecular FormulaC21H16FN5O
Molecular Weight373.39 g/mol
Exact Mass373.13
IUPAC Name2-cyclopropyl-N-[4-(4-fluorophenyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide
SMILESO=C(Nc1cnccc1-c1ccc(F)cc1)c1ccnn2cc(C3CC3)nc12
InChIInChI=1S/C21H16FN5O/c22-15-5-3-13(4-6-15)16-7-9-23-11-18(16)26-21(28)17-8-10-24-27-12-19(14-1-2-14)25-20(17)27/h3-12,14H,1-2H2,(H,26,28)
InChIKeyVPGLALPDHBCDQS-UHFFFAOYSA-N
XLogP4.06
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[4-(4-fluorophenyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[4-(4-fluorophenyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide (CID 134551973) is 2-cyclopropyl-N-[4-(4-fluorophenyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[4-(4-fluorophenyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[4-(4-fluorophenyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide is O=C(Nc1cnccc1-c1ccc(F)cc1)c1ccnn2cc(C3CC3)nc12.
What is the InChIKey of 2-cyclopropyl-N-[4-(4-fluorophenyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide?
The InChIKey is VPGLALPDHBCDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O/c22-15-5-3-13(4-6-15)16-7-9-23-11-18(16)26-21(28)17-8-10-24-27-12-19(14-1-2-14)25-20(17)27/h3-12,14H,1-2H2,(H,26,28).
What are the key properties of 2-cyclopropyl-N-[4-(4-fluorophenyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide?
2-cyclopropyl-N-[4-(4-fluorophenyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide has a molecular weight of 373.39 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[4-(4-fluorophenyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide is sourced from PubChem (CID 134551973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).