[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(7-methoxyimidazo[1,2-a]pyridin-3-yl)methanone

C19H19N7O2 — CID 154740102

IUPAC[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(7-methoxyimidazo[1,2-a]pyridin-3-yl)methanone
SMILESCOc1ccn2c(C(=O)N3CCC(Nc4ccc5nccn5n4)C3)cnc2c1
InChIInChI=1S/C19H19N7O2/c1-28-14-5-8-25-15(11-21-18(25)10-14)19(27)24-7-4-13(12-24)22-16-2-3-17-20-6-9-26(17)23-16/h2-3,5-6,8-11,13H,4,7,12H2,1H3,(H,22,23)
InChIKeyIBZQDVQOXFVFJM-UHFFFAOYSA-N
MW377.41 g/mol
LogP1.71
Rot. Bonds4

About [3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(7-methoxyimidazo[1,2-a]pyridin-3-yl)methanone

[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(7-methoxyimidazo[1,2-a]pyridin-3-yl)methanone (PubChem CID 154740102) has the molecular formula C19H19N7O2 and a molecular weight of 377.41 g/mol. Its IUPAC name is [3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(7-methoxyimidazo[1,2-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(7-methoxyimidazo[1,2-a]pyridin-3-yl)methanone
PubChem CID154740102
Molecular FormulaC19H19N7O2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC Name[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(7-methoxyimidazo[1,2-a]pyridin-3-yl)methanone
SMILESCOc1ccn2c(C(=O)N3CCC(Nc4ccc5nccn5n4)C3)cnc2c1
InChIInChI=1S/C19H19N7O2/c1-28-14-5-8-25-15(11-21-18(25)10-14)19(27)24-7-4-13(12-24)22-16-2-3-17-20-6-9-26(17)23-16/h2-3,5-6,8-11,13H,4,7,12H2,1H3,(H,22,23)
InChIKeyIBZQDVQOXFVFJM-UHFFFAOYSA-N
XLogP1.71
TPSA89.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[(3R)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129344896
[(3S)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 129344923
[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone
CID 127977513
4-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 154744597
[(3S)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-[(2S)-oxan-2-yl]methanone
CID 129344909
(2-cyclohexylcyclopropyl)-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]methanone
CID 127977367
3-(imidazo[1,2-b]pyridazin-6-ylamino)-N-(4-methylthiophen-3-yl)pyrrolidine-1-carboxamide
CID 127974969
(2R)-1-[(3S)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 129344930
2,3-dihydro-1-benzofuran-7-yl-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]methanone
CID 136565252
2-tert-butyl-5-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]-4-methyl-1H-pyrimidin-6-one
CID 137203475
7-methoxy-3-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]imidazo[1,2-a]pyridine
CID 167788405
imidazo[1,2-a]pyridin-3-yl-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methanone
CID 70748196

Frequently Asked Questions

What is the IUPAC name of [3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(7-methoxyimidazo[1,2-a]pyridin-3-yl)methanone?
The IUPAC name of [3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(7-methoxyimidazo[1,2-a]pyridin-3-yl)methanone (CID 154740102) is [3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(7-methoxyimidazo[1,2-a]pyridin-3-yl)methanone.
What is the SMILES notation for [3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(7-methoxyimidazo[1,2-a]pyridin-3-yl)methanone?
The canonical SMILES for [3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(7-methoxyimidazo[1,2-a]pyridin-3-yl)methanone is COc1ccn2c(C(=O)N3CCC(Nc4ccc5nccn5n4)C3)cnc2c1.
What is the InChIKey of [3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(7-methoxyimidazo[1,2-a]pyridin-3-yl)methanone?
The InChIKey is IBZQDVQOXFVFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2/c1-28-14-5-8-25-15(11-21-18(25)10-14)19(27)24-7-4-13(12-24)22-16-2-3-17-20-6-9-26(17)23-16/h2-3,5-6,8-11,13H,4,7,12H2,1H3,(H,22,23).
What are the key properties of [3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(7-methoxyimidazo[1,2-a]pyridin-3-yl)methanone?
[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(7-methoxyimidazo[1,2-a]pyridin-3-yl)methanone has a molecular weight of 377.41 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(7-methoxyimidazo[1,2-a]pyridin-3-yl)methanone is sourced from PubChem (CID 154740102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).