6-[5-(3-chloro-4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide

C19H16ClFN6O2 — CID 122510762

IUPAC6-[5-(3-chloro-4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnc2ccc(-c3c(-c4ccc(F)c(Cl)c4)ncn3CCCO)nn12
InChIInChI=1S/C19H16ClFN6O2/c20-12-8-11(2-3-13(12)21)17-18(26(10-24-17)6-1-7-28)14-4-5-16-23-9-15(19(22)29)27(16)25-14/h2-5,8-10,28H,1,6-7H2,(H2,22,29)
InChIKeyRMCAQQLJZBBHNC-UHFFFAOYSA-N
MW414.83 g/mol
LogP2.53
Rot. Bonds6

About 6-[5-(3-chloro-4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide

6-[5-(3-chloro-4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 122510762) has the molecular formula C19H16ClFN6O2 and a molecular weight of 414.83 g/mol. Its IUPAC name is 6-[5-(3-chloro-4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[5-(3-chloro-4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID122510762
Molecular FormulaC19H16ClFN6O2
Molecular Weight414.83 g/mol
Exact Mass414.10
IUPAC Name6-[5-(3-chloro-4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnc2ccc(-c3c(-c4ccc(F)c(Cl)c4)ncn3CCCO)nn12
InChIInChI=1S/C19H16ClFN6O2/c20-12-8-11(2-3-13(12)21)17-18(26(10-24-17)6-1-7-28)14-4-5-16-23-9-15(19(22)29)27(16)25-14/h2-5,8-10,28H,1,6-7H2,(H2,22,29)
InChIKeyRMCAQQLJZBBHNC-UHFFFAOYSA-N
XLogP2.53
TPSA111.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.83
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(3-chloro-4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[5-(3-chloro-4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 122510762) is 6-[5-(3-chloro-4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[5-(3-chloro-4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[5-(3-chloro-4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is NC(=O)c1cnc2ccc(-c3c(-c4ccc(F)c(Cl)c4)ncn3CCCO)nn12.
What is the InChIKey of 6-[5-(3-chloro-4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is RMCAQQLJZBBHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN6O2/c20-12-8-11(2-3-13(12)21)17-18(26(10-24-17)6-1-7-28)14-4-5-16-23-9-15(19(22)29)27(16)25-14/h2-5,8-10,28H,1,6-7H2,(H2,22,29).
What are the key properties of 6-[5-(3-chloro-4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
6-[5-(3-chloro-4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 414.83 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(3-chloro-4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 122510762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).