3-(cyclopropylmethylamino)-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide

C19H22N6O2 — CID 134551836

IUPAC3-(cyclopropylmethylamino)-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide
SMILESCC(C)Oc1ccncc1NC(=O)c1ccnn2c(NCC3CC3)cnc12
InChIInChI=1S/C19H22N6O2/c1-12(2)27-16-6-7-20-10-15(16)24-19(26)14-5-8-23-25-17(11-22-18(14)25)21-9-13-3-4-13/h5-8,10-13,21H,3-4,9H2,1-2H3,(H,24,26)
InChIKeyJKVBLFAUDIBMEH-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.99
Rot. Bonds7

About 3-(cyclopropylmethylamino)-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide

3-(cyclopropylmethylamino)-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide (PubChem CID 134551836) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 3-(cyclopropylmethylamino)-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide.

Molecular Properties

Compound Name3-(cyclopropylmethylamino)-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide
PubChem CID134551836
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name3-(cyclopropylmethylamino)-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide
SMILESCC(C)Oc1ccncc1NC(=O)c1ccnn2c(NCC3CC3)cnc12
InChIInChI=1S/C19H22N6O2/c1-12(2)27-16-6-7-20-10-15(16)24-19(26)14-5-8-23-25-17(11-22-18(14)25)21-9-13-3-4-13/h5-8,10-13,21H,3-4,9H2,1-2H3,(H,24,26)
InChIKeyJKVBLFAUDIBMEH-UHFFFAOYSA-N
XLogP2.99
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethylamino)-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide?
The IUPAC name of 3-(cyclopropylmethylamino)-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide (CID 134551836) is 3-(cyclopropylmethylamino)-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide.
What is the SMILES notation for 3-(cyclopropylmethylamino)-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide?
The canonical SMILES for 3-(cyclopropylmethylamino)-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide is CC(C)Oc1ccncc1NC(=O)c1ccnn2c(NCC3CC3)cnc12.
What is the InChIKey of 3-(cyclopropylmethylamino)-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide?
The InChIKey is JKVBLFAUDIBMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-12(2)27-16-6-7-20-10-15(16)24-19(26)14-5-8-23-25-17(11-22-18(14)25)21-9-13-3-4-13/h5-8,10-13,21H,3-4,9H2,1-2H3,(H,24,26).
What are the key properties of 3-(cyclopropylmethylamino)-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide?
3-(cyclopropylmethylamino)-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethylamino)-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide is sourced from PubChem (CID 134551836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).