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

C20H23N7O2 — CID 134551768

IUPAC3-(cyclopropylmethylamino)-N-(4-morpholin-4-yl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide
SMILESO=C(Nc1cnccc1N1CCOCC1)c1ccnn2c(NCC3CC3)cnc12
InChIInChI=1S/C20H23N7O2/c28-20(25-16-12-21-5-4-17(16)26-7-9-29-10-8-26)15-3-6-24-27-18(13-23-19(15)27)22-11-14-1-2-14/h3-6,12-14,22H,1-2,7-11H2,(H,25,28)
InChIKeyHVZPHINNUZGJAZ-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.04
Rot. Bonds6

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

3-(cyclopropylmethylamino)-N-(4-morpholin-4-yl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide (PubChem CID 134551768) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 3-(cyclopropylmethylamino)-N-(4-morpholin-4-yl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide.

Molecular Properties

Compound Name3-(cyclopropylmethylamino)-N-(4-morpholin-4-yl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide
PubChem CID134551768
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC Name3-(cyclopropylmethylamino)-N-(4-morpholin-4-yl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide
SMILESO=C(Nc1cnccc1N1CCOCC1)c1ccnn2c(NCC3CC3)cnc12
InChIInChI=1S/C20H23N7O2/c28-20(25-16-12-21-5-4-17(16)26-7-9-29-10-8-26)15-3-6-24-27-18(13-23-19(15)27)22-11-14-1-2-14/h3-6,12-14,22H,1-2,7-11H2,(H,25,28)
InChIKeyHVZPHINNUZGJAZ-UHFFFAOYSA-N
XLogP2.04
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethylamino)-N-(4-morpholin-4-yl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide?
The IUPAC name of 3-(cyclopropylmethylamino)-N-(4-morpholin-4-yl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide (CID 134551768) is 3-(cyclopropylmethylamino)-N-(4-morpholin-4-yl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide.
What is the SMILES notation for 3-(cyclopropylmethylamino)-N-(4-morpholin-4-yl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide?
The canonical SMILES for 3-(cyclopropylmethylamino)-N-(4-morpholin-4-yl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide is O=C(Nc1cnccc1N1CCOCC1)c1ccnn2c(NCC3CC3)cnc12.
What is the InChIKey of 3-(cyclopropylmethylamino)-N-(4-morpholin-4-yl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide?
The InChIKey is HVZPHINNUZGJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c28-20(25-16-12-21-5-4-17(16)26-7-9-29-10-8-26)15-3-6-24-27-18(13-23-19(15)27)22-11-14-1-2-14/h3-6,12-14,22H,1-2,7-11H2,(H,25,28).
What are the key properties of 3-(cyclopropylmethylamino)-N-(4-morpholin-4-yl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide?
3-(cyclopropylmethylamino)-N-(4-morpholin-4-yl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethylamino)-N-(4-morpholin-4-yl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide is sourced from PubChem (CID 134551768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).