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

C19H21N7O2 — CID 155552433

IUPACN-cyclopropyl-6-[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNc1cc(Nc2cccn(C3CC3)c2=O)nn2c(C(=O)NC3CC3)cnc12
InChIInChI=1S/C19H21N7O2/c1-20-14-9-16(23-13-3-2-8-25(19(13)28)12-6-7-12)24-26-15(10-21-17(14)26)18(27)22-11-4-5-11/h2-3,8-12,20H,4-7H2,1H3,(H,22,27)(H,23,24)
InChIKeyMKDDBILYVZEWJS-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.90
Rot. Bonds6

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

N-cyclopropyl-6-[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 155552433) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-cyclopropyl-6-[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID155552433
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC NameN-cyclopropyl-6-[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNc1cc(Nc2cccn(C3CC3)c2=O)nn2c(C(=O)NC3CC3)cnc12
InChIInChI=1S/C19H21N7O2/c1-20-14-9-16(23-13-3-2-8-25(19(13)28)12-6-7-12)24-26-15(10-21-17(14)26)18(27)22-11-4-5-11/h2-3,8-12,20H,4-7H2,1H3,(H,22,27)(H,23,24)
InChIKeyMKDDBILYVZEWJS-UHFFFAOYSA-N
XLogP1.90
TPSA105.35 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.90
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-6-[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-cyclopropyl-6-[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (CID 155552433) is N-cyclopropyl-6-[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-6-[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is CNc1cc(Nc2cccn(C3CC3)c2=O)nn2c(C(=O)NC3CC3)cnc12.
What is the InChIKey of N-cyclopropyl-6-[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is MKDDBILYVZEWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c1-20-14-9-16(23-13-3-2-8-25(19(13)28)12-6-7-12)24-26-15(10-21-17(14)26)18(27)22-11-4-5-11/h2-3,8-12,20H,4-7H2,1H3,(H,22,27)(H,23,24).
What are the key properties of N-cyclopropyl-6-[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
N-cyclopropyl-6-[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 155552433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).