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

C18H18N8O2 — CID 140943152

IUPACN-(1-cyanocyclopropyl)-6-[(2-methoxy-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNc1cc(Nc2cccnc2OC)nn2c(C(=O)NC3(C#N)CC3)cnc12
InChIInChI=1S/C18H18N8O2/c1-20-12-8-14(23-11-4-3-7-21-17(11)28-2)25-26-13(9-22-15(12)26)16(27)24-18(10-19)5-6-18/h3-4,7-9,20H,5-6H2,1-2H3,(H,23,25)(H,24,27)
InChIKeyDQEHSDRKEJJNNO-UHFFFAOYSA-N
MW378.40 g/mol
LogP1.70
Rot. Bonds6

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

N-(1-cyanocyclopropyl)-6-[(2-methoxy-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 140943152) has the molecular formula C18H18N8O2 and a molecular weight of 378.40 g/mol. Its IUPAC name is N-(1-cyanocyclopropyl)-6-[(2-methoxy-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclopropyl)-6-[(2-methoxy-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID140943152
Molecular FormulaC18H18N8O2
Molecular Weight378.40 g/mol
Exact Mass378.16
IUPAC NameN-(1-cyanocyclopropyl)-6-[(2-methoxy-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNc1cc(Nc2cccnc2OC)nn2c(C(=O)NC3(C#N)CC3)cnc12
InChIInChI=1S/C18H18N8O2/c1-20-12-8-14(23-11-4-3-7-21-17(11)28-2)25-26-13(9-22-15(12)26)16(27)24-18(10-19)5-6-18/h3-4,7-9,20H,5-6H2,1-2H3,(H,23,25)(H,24,27)
InChIKeyDQEHSDRKEJJNNO-UHFFFAOYSA-N
XLogP1.70
TPSA129.26 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

6-(3-cyano-2-methoxyanilino)-8-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 166979502
N-cyclopropyl-8-(methylamino)-6-[[2-(methylcarbamoyl)furan-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 134417195
6-[[1-(4-cyanophenyl)-2-oxo-3-pyridinyl]amino]-N-cyclopropyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 118139924
6-anilino-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 176629502
N-[(2R)-2-hydroxy-2-methylcyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450160
N-cyclopentyl-6,8-bis(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 162764665
6-(5-fluoro-2-methoxyanilino)-8-(methylamino)-N-[(3R)-1-methyl-2-(oxomethylidene)pyrrolidin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 162732991
6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(2-methoxy-3-pyridinyl)amino]-N-methylpyridine-3-carboxamide
CID 90153800
methyl 6-[3-[[3-(cyclobutylcarbamoyl)-8-(methylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-oxo-1-pyridinyl]pyridine-3-carboxylate
CID 176629530
5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-spiro[3.3]heptan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441488
N-[(2S)-2-methoxycyclobutyl]-6-[[1-(3-methoxycyclobutyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 154605282
4-[(2-methoxy-3-pyridinyl)amino]-N-methyl-6-[(2-methyl-6-methylsulfonylpyrimidin-4-yl)amino]pyridine-3-carboxamide
CID 90153827

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopropyl)-6-[(2-methoxy-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-(1-cyanocyclopropyl)-6-[(2-methoxy-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (CID 140943152) is N-(1-cyanocyclopropyl)-6-[(2-methoxy-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-(1-cyanocyclopropyl)-6-[(2-methoxy-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-(1-cyanocyclopropyl)-6-[(2-methoxy-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is CNc1cc(Nc2cccnc2OC)nn2c(C(=O)NC3(C#N)CC3)cnc12.
What is the InChIKey of N-(1-cyanocyclopropyl)-6-[(2-methoxy-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is DQEHSDRKEJJNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8O2/c1-20-12-8-14(23-11-4-3-7-21-17(11)28-2)25-26-13(9-22-15(12)26)16(27)24-18(10-19)5-6-18/h3-4,7-9,20H,5-6H2,1-2H3,(H,23,25)(H,24,27).
What are the key properties of N-(1-cyanocyclopropyl)-6-[(2-methoxy-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
N-(1-cyanocyclopropyl)-6-[(2-methoxy-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 378.40 g/mol, XLogP of 1.70, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopropyl)-6-[(2-methoxy-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 140943152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).