N-cyclopropyl-8-(methylamino)-6-[[5-(methylcarbamoyl)-1H-pyrazol-4-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide

C16H19N9O2 — CID 134417211

IUPACN-cyclopropyl-8-(methylamino)-6-[[5-(methylcarbamoyl)-1H-pyrazol-4-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNC(=O)c1[nH]ncc1Nc1cc(NC)c2ncc(C(=O)NC3CC3)n2n1
InChIInChI=1S/C16H19N9O2/c1-17-9-5-12(22-10-6-20-23-13(10)16(27)18-2)24-25-11(7-19-14(9)25)15(26)21-8-3-4-8/h5-8,17H,3-4H2,1-2H3,(H,18,27)(H,20,23)(H,21,26)(H,22,24)
InChIKeyUEDUVLRWLQEGBB-UHFFFAOYSA-N
MW369.39 g/mol
LogP0.49
Rot. Bonds6

About N-cyclopropyl-8-(methylamino)-6-[[5-(methylcarbamoyl)-1H-pyrazol-4-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide

N-cyclopropyl-8-(methylamino)-6-[[5-(methylcarbamoyl)-1H-pyrazol-4-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 134417211) has the molecular formula C16H19N9O2 and a molecular weight of 369.39 g/mol. Its IUPAC name is N-cyclopropyl-8-(methylamino)-6-[[5-(methylcarbamoyl)-1H-pyrazol-4-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-8-(methylamino)-6-[[5-(methylcarbamoyl)-1H-pyrazol-4-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID134417211
Molecular FormulaC16H19N9O2
Molecular Weight369.39 g/mol
Exact Mass369.17
IUPAC NameN-cyclopropyl-8-(methylamino)-6-[[5-(methylcarbamoyl)-1H-pyrazol-4-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNC(=O)c1[nH]ncc1Nc1cc(NC)c2ncc(C(=O)NC3CC3)n2n1
InChIInChI=1S/C16H19N9O2/c1-17-9-5-12(22-10-6-20-23-13(10)16(27)18-2)24-25-11(7-19-14(9)25)15(26)21-8-3-4-8/h5-8,17H,3-4H2,1-2H3,(H,18,27)(H,20,23)(H,21,26)(H,22,24)
InChIKeyUEDUVLRWLQEGBB-UHFFFAOYSA-N
XLogP0.49
TPSA141.13 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 50.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-[[3-(cyclopropylcarbamoyl)-8-(methylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-N-methyl-1,2-thiazole-3-carboxamide
CID 134417201
N-cyclopropyl-8-(methylamino)-6-[[2-(methylcarbamoyl)furan-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 134417195
N-cyclopentyl-6,8-bis(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 162764665
6-[[1-(4-cyanophenyl)-2-oxo-3-pyridinyl]amino]-N-cyclopropyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 118139924
N-cyclopropyl-8-(methylamino)-6-[[1-(6-methylpyridazin-3-yl)-2-oxo-3-pyridinyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 155516134
N-cyclopropyl-6-[[2,5-dimethyl-3-(phenylcarbamoyl)-1,5-dihydropyrazol-4-yl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 153023042
methyl 6-[3-[[3-(cyclobutylcarbamoyl)-8-(methylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-oxo-1-pyridinyl]pyridine-3-carboxylate
CID 176629530
4-[[3-(cyclopropylcarbamoyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-6-yl]amino]-1-ethylpyrazole-3-carboxylic acid;N-cyclopropyl-6-[[1-ethyl-3-(methylcarbamoyl)pyrazol-4-yl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 158002417
6-anilino-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 176629502
CID 162764663
CID 162764663
6-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-8-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 163820029
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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-8-(methylamino)-6-[[5-(methylcarbamoyl)-1H-pyrazol-4-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-cyclopropyl-8-(methylamino)-6-[[5-(methylcarbamoyl)-1H-pyrazol-4-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide (CID 134417211) is N-cyclopropyl-8-(methylamino)-6-[[5-(methylcarbamoyl)-1H-pyrazol-4-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-8-(methylamino)-6-[[5-(methylcarbamoyl)-1H-pyrazol-4-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-8-(methylamino)-6-[[5-(methylcarbamoyl)-1H-pyrazol-4-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide is CNC(=O)c1[nH]ncc1Nc1cc(NC)c2ncc(C(=O)NC3CC3)n2n1.
What is the InChIKey of N-cyclopropyl-8-(methylamino)-6-[[5-(methylcarbamoyl)-1H-pyrazol-4-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is UEDUVLRWLQEGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N9O2/c1-17-9-5-12(22-10-6-20-23-13(10)16(27)18-2)24-25-11(7-19-14(9)25)15(26)21-8-3-4-8/h5-8,17H,3-4H2,1-2H3,(H,18,27)(H,20,23)(H,21,26)(H,22,24).
What are the key properties of N-cyclopropyl-8-(methylamino)-6-[[5-(methylcarbamoyl)-1H-pyrazol-4-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide?
N-cyclopropyl-8-(methylamino)-6-[[5-(methylcarbamoyl)-1H-pyrazol-4-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 369.39 g/mol, XLogP of 0.49, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-8-(methylamino)-6-[[5-(methylcarbamoyl)-1H-pyrazol-4-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 134417211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).