(2-cyclohexylcyclopropyl)-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]methanone

C20H27N5O — CID 127977367

IUPAC(2-cyclohexylcyclopropyl)-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]methanone
SMILESO=C(C1CC1C1CCCCC1)N1CCC(Nc2ccc3nccn3n2)C1
InChIInChI=1S/C20H27N5O/c26-20(17-12-16(17)14-4-2-1-3-5-14)24-10-8-15(13-24)22-18-6-7-19-21-9-11-25(19)23-18/h6-7,9,11,14-17H,1-5,8,10,12-13H2,(H,22,23)
InChIKeyPIQCFXXOSYDTHQ-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.96
Rot. Bonds4

About (2-cyclohexylcyclopropyl)-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]methanone

(2-cyclohexylcyclopropyl)-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]methanone (PubChem CID 127977367) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is (2-cyclohexylcyclopropyl)-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-cyclohexylcyclopropyl)-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]methanone
PubChem CID127977367
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name(2-cyclohexylcyclopropyl)-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]methanone
SMILESO=C(C1CC1C1CCCCC1)N1CCC(Nc2ccc3nccn3n2)C1
InChIInChI=1S/C20H27N5O/c26-20(17-12-16(17)14-4-2-1-3-5-14)24-10-8-15(13-24)22-18-6-7-19-21-9-11-25(19)23-18/h6-7,9,11,14-17H,1-5,8,10,12-13H2,(H,22,23)
InChIKeyPIQCFXXOSYDTHQ-UHFFFAOYSA-N
XLogP2.96
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-[(2S)-oxan-2-yl]methanone
CID 129344909
[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone
CID 127977513
[(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)-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
4-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 154744597
[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(7-methoxyimidazo[1,2-a]pyridin-3-yl)methanone
CID 154740102
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
(2-cyclopropylcyclopropyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119493995
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-[3-[(5-nitro-2-pyridinyl)amino]pyrrolidin-1-yl]methanone
CID 119890627

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexylcyclopropyl)-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-cyclohexylcyclopropyl)-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]methanone (CID 127977367) is (2-cyclohexylcyclopropyl)-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-cyclohexylcyclopropyl)-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-cyclohexylcyclopropyl)-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]methanone is O=C(C1CC1C1CCCCC1)N1CCC(Nc2ccc3nccn3n2)C1.
What is the InChIKey of (2-cyclohexylcyclopropyl)-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]methanone?
The InChIKey is PIQCFXXOSYDTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c26-20(17-12-16(17)14-4-2-1-3-5-14)24-10-8-15(13-24)22-18-6-7-19-21-9-11-25(19)23-18/h6-7,9,11,14-17H,1-5,8,10,12-13H2,(H,22,23).
What are the key properties of (2-cyclohexylcyclopropyl)-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]methanone?
(2-cyclohexylcyclopropyl)-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]methanone has a molecular weight of 353.47 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexylcyclopropyl)-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 127977367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).