N-cyclopropyl-8-(methylamino)-6-[(1-methyl-2-oxo-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide

C17H19N7O2 — CID 155540954

IUPACN-cyclopropyl-8-(methylamino)-6-[(1-methyl-2-oxo-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNc1cc(Nc2cccn(C)c2=O)nn2c(C(=O)NC3CC3)cnc12
InChIInChI=1S/C17H19N7O2/c1-18-12-8-14(21-11-4-3-7-23(2)17(11)26)22-24-13(9-19-15(12)24)16(25)20-10-5-6-10/h3-4,7-10,18H,5-6H2,1-2H3,(H,20,25)(H,21,22)
InChIKeyQLUUYWKYHPDHTM-UHFFFAOYSA-N
MW353.39 g/mol
LogP1.11
Rot. Bonds5

About N-cyclopropyl-8-(methylamino)-6-[(1-methyl-2-oxo-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide

N-cyclopropyl-8-(methylamino)-6-[(1-methyl-2-oxo-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 155540954) has the molecular formula C17H19N7O2 and a molecular weight of 353.39 g/mol. Its IUPAC name is N-cyclopropyl-8-(methylamino)-6-[(1-methyl-2-oxo-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-8-(methylamino)-6-[(1-methyl-2-oxo-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID155540954
Molecular FormulaC17H19N7O2
Molecular Weight353.39 g/mol
Exact Mass353.16
IUPAC NameN-cyclopropyl-8-(methylamino)-6-[(1-methyl-2-oxo-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNc1cc(Nc2cccn(C)c2=O)nn2c(C(=O)NC3CC3)cnc12
InChIInChI=1S/C17H19N7O2/c1-18-12-8-14(21-11-4-3-7-23(2)17(11)26)22-24-13(9-19-15(12)24)16(25)20-10-5-6-10/h3-4,7-10,18H,5-6H2,1-2H3,(H,20,25)(H,21,22)
InChIKeyQLUUYWKYHPDHTM-UHFFFAOYSA-N
XLogP1.11
TPSA105.35 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-8-(methylamino)-6-[(1-methyl-2-oxo-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-cyclopropyl-8-(methylamino)-6-[(1-methyl-2-oxo-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide (CID 155540954) is N-cyclopropyl-8-(methylamino)-6-[(1-methyl-2-oxo-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-8-(methylamino)-6-[(1-methyl-2-oxo-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-8-(methylamino)-6-[(1-methyl-2-oxo-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide is CNc1cc(Nc2cccn(C)c2=O)nn2c(C(=O)NC3CC3)cnc12.
What is the InChIKey of N-cyclopropyl-8-(methylamino)-6-[(1-methyl-2-oxo-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is QLUUYWKYHPDHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2/c1-18-12-8-14(21-11-4-3-7-23(2)17(11)26)22-24-13(9-19-15(12)24)16(25)20-10-5-6-10/h3-4,7-10,18H,5-6H2,1-2H3,(H,20,25)(H,21,22).
What are the key properties of N-cyclopropyl-8-(methylamino)-6-[(1-methyl-2-oxo-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide?
N-cyclopropyl-8-(methylamino)-6-[(1-methyl-2-oxo-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 353.39 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-8-(methylamino)-6-[(1-methyl-2-oxo-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 155540954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).