4-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-pyrrolidin-3-ylpyrimidin-2-amine

C18H21N7O — CID 167449964

IUPAC4-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-pyrrolidin-3-ylpyrimidin-2-amine
SMILESCOc1cc2ncc(-c3ccnc(NC4CCNC4)n3)n2nc1C1CC1
InChIInChI=1S/C18H21N7O/c1-26-15-8-16-21-10-14(25(16)24-17(15)11-2-3-11)13-5-7-20-18(23-13)22-12-4-6-19-9-12/h5,7-8,10-12,19H,2-4,6,9H2,1H3,(H,20,22,23)
InChIKeyMIIODOSDVMWDNX-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.85
Rot. Bonds5

About 4-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-pyrrolidin-3-ylpyrimidin-2-amine

4-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-pyrrolidin-3-ylpyrimidin-2-amine (PubChem CID 167449964) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-pyrrolidin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-pyrrolidin-3-ylpyrimidin-2-amine
PubChem CID167449964
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name4-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-pyrrolidin-3-ylpyrimidin-2-amine
SMILESCOc1cc2ncc(-c3ccnc(NC4CCNC4)n3)n2nc1C1CC1
InChIInChI=1S/C18H21N7O/c1-26-15-8-16-21-10-14(25(16)24-17(15)11-2-3-11)13-5-7-20-18(23-13)22-12-4-6-19-9-12/h5,7-8,10-12,19H,2-4,6,9H2,1H3,(H,20,22,23)
InChIKeyMIIODOSDVMWDNX-UHFFFAOYSA-N
XLogP1.85
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-pyrrolidin-3-ylpyrazin-2-amine;ethane
CID 167450105
6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-4-phenoxy-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine
CID 170631209
6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)-3-methoxypyridin-2-amine
CID 170631276
6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)-4-methylpyridin-2-amine
CID 174291202
1,1,1-trifluoro-2-[7-methoxy-3-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 167449985
5-chloro-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-[(3R)-piperidin-3-yl]pyridin-2-amine
CID 177159396
6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3-methoxypyridin-2-amine
CID 170631104
ethane;2-[7-methoxy-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 170591549
6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-4-methylpyridin-2-amine
CID 170630919
1,1,1-trifluoro-2-[7-methoxy-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 167449935
3-chloro-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)pyridin-2-amine
CID 177159305
5-chloro-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)pyridin-2-amine
CID 177159461

Frequently Asked Questions

What is the IUPAC name of 4-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-pyrrolidin-3-ylpyrimidin-2-amine?
The IUPAC name of 4-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-pyrrolidin-3-ylpyrimidin-2-amine (CID 167449964) is 4-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-pyrrolidin-3-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-pyrrolidin-3-ylpyrimidin-2-amine?
The canonical SMILES for 4-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-pyrrolidin-3-ylpyrimidin-2-amine is COc1cc2ncc(-c3ccnc(NC4CCNC4)n3)n2nc1C1CC1.
What is the InChIKey of 4-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-pyrrolidin-3-ylpyrimidin-2-amine?
The InChIKey is MIIODOSDVMWDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-26-15-8-16-21-10-14(25(16)24-17(15)11-2-3-11)13-5-7-20-18(23-13)22-12-4-6-19-9-12/h5,7-8,10-12,19H,2-4,6,9H2,1H3,(H,20,22,23).
What are the key properties of 4-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-pyrrolidin-3-ylpyrimidin-2-amine?
4-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-pyrrolidin-3-ylpyrimidin-2-amine has a molecular weight of 351.41 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-pyrrolidin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 167449964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).