1-[(2R)-4-[3-amino-6-cyclopropyl-5-(6-ethenylpyridazin-4-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-2-methoxyethanone

C24H30N6O2 — CID 89304917

IUPAC1-[(2R)-4-[3-amino-6-cyclopropyl-5-(6-ethenylpyridazin-4-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-2-methoxyethanone
SMILESC=Cc1cc(-c2cc(N)c(N3CCN(C(=O)COC)[C@H](C4CC4)C3)nc2C2CC2)cnn1
InChIInChI=1S/C24H30N6O2/c1-3-18-10-17(12-26-28-18)19-11-20(25)24(27-23(19)16-6-7-16)29-8-9-30(22(31)14-32-2)21(13-29)15-4-5-15/h3,10-12,15-16,21H,1,4-9,13-14,25H2,2H3/t21-/m0/s1
InChIKeyOISBUPDPCQRDGE-NRFANRHFSA-N
MW434.54 g/mol
LogP2.71
Rot. Bonds7

About 1-[(2R)-4-[3-amino-6-cyclopropyl-5-(6-ethenylpyridazin-4-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-2-methoxyethanone

1-[(2R)-4-[3-amino-6-cyclopropyl-5-(6-ethenylpyridazin-4-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-2-methoxyethanone (PubChem CID 89304917) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-[(2R)-4-[3-amino-6-cyclopropyl-5-(6-ethenylpyridazin-4-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[(2R)-4-[3-amino-6-cyclopropyl-5-(6-ethenylpyridazin-4-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-2-methoxyethanone
PubChem CID89304917
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name1-[(2R)-4-[3-amino-6-cyclopropyl-5-(6-ethenylpyridazin-4-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-2-methoxyethanone
SMILESC=Cc1cc(-c2cc(N)c(N3CCN(C(=O)COC)[C@H](C4CC4)C3)nc2C2CC2)cnn1
InChIInChI=1S/C24H30N6O2/c1-3-18-10-17(12-26-28-18)19-11-20(25)24(27-23(19)16-6-7-16)29-8-9-30(22(31)14-32-2)21(13-29)15-4-5-15/h3,10-12,15-16,21H,1,4-9,13-14,25H2,2H3/t21-/m0/s1
InChIKeyOISBUPDPCQRDGE-NRFANRHFSA-N
XLogP2.71
TPSA97.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(2R)-4-[3-amino-6-cyclopropyl-5-(6-ethenylpyridazin-4-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-2-methoxyethanone with MolForge

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Related Compounds

6-cyclopropyl-2-[3-cyclopropyl-4-(3-hydroxypropanoyl)piperazin-1-yl]-5-(6-ethenylpyridazin-4-yl)pyridine-3-carbonitrile
CID 89288401
6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-(3-hydroxypropanoyl)piperazin-1-yl]-5-(6-ethenylpyridazin-4-yl)pyridine-3-carbonitrile
CID 86728556
1-[(2R)-4-[3-amino-6-cyclopropyl-5-(6-ethenyl-3-pyridinyl)-2-pyridinyl]-2-methylpiperazin-1-yl]-3-methoxypropan-1-one
CID 89300162
6-cyclopropyl-2-[3-cyclopropyl-4-(4-methoxybutanoyl)piperazin-1-yl]-5-(2-ethenyl-4-pyridinyl)pyridine-3-carbonitrile
CID 123663473
1-[(2R)-4-[3-amino-6-cyclopropyl-5-(2-ethenylquinazolin-5-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-3-hydroxypropan-1-one
CID 89304690
6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-(3-hydroxypropanoyl)piperazin-1-yl]-5-(2-ethenyl-4-pyridinyl)pyridine-3-carbonitrile
CID 90305585
6-cyclopropyl-5-(2-ethenyl-4-pyridinyl)-2-[4-(2-methoxyacetyl)-3-propan-2-ylpiperazin-1-yl]pyridine-3-carbonitrile
CID 123446459
6-cyclopropyl-2-[3-cyclopropyl-4-[2-(oxetan-2-yl)acetyl]piperazin-1-yl]-5-(5-ethenylpyridazin-3-yl)pyridine-3-carbonitrile
CID 90301774
N-[4-[5-amino-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-3-pyridinyl]phenyl]acetamide
CID 71135450
1-[(2R)-4-[3-amino-6-cyclopropyl-5-(2-ethenyl-1,8-naphthyridin-4-yl)-2-pyridinyl]-2-methylpiperazin-1-yl]-3-methoxypropan-1-one
CID 89300101
[(2R)-4-[3-amino-5-(1,3-benzoxazol-6-yl)-6-cyclopropyl-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-cyclopropylmethanone
CID 71137167
5-(2-amino-6-ethenylpyrimidin-4-yl)-2-[4-(cyclopropanecarbonyl)-3-cyclopropylpiperazin-1-yl]-6-cyclopropylpyridine-3-carbonitrile
CID 89288284

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-[3-amino-6-cyclopropyl-5-(6-ethenylpyridazin-4-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[(2R)-4-[3-amino-6-cyclopropyl-5-(6-ethenylpyridazin-4-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-2-methoxyethanone (CID 89304917) is 1-[(2R)-4-[3-amino-6-cyclopropyl-5-(6-ethenylpyridazin-4-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[(2R)-4-[3-amino-6-cyclopropyl-5-(6-ethenylpyridazin-4-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[(2R)-4-[3-amino-6-cyclopropyl-5-(6-ethenylpyridazin-4-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-2-methoxyethanone is C=Cc1cc(-c2cc(N)c(N3CCN(C(=O)COC)[C@H](C4CC4)C3)nc2C2CC2)cnn1.
What is the InChIKey of 1-[(2R)-4-[3-amino-6-cyclopropyl-5-(6-ethenylpyridazin-4-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-2-methoxyethanone?
The InChIKey is OISBUPDPCQRDGE-NRFANRHFSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-3-18-10-17(12-26-28-18)19-11-20(25)24(27-23(19)16-6-7-16)29-8-9-30(22(31)14-32-2)21(13-29)15-4-5-15/h3,10-12,15-16,21H,1,4-9,13-14,25H2,2H3/t21-/m0/s1.
What are the key properties of 1-[(2R)-4-[3-amino-6-cyclopropyl-5-(6-ethenylpyridazin-4-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-2-methoxyethanone?
1-[(2R)-4-[3-amino-6-cyclopropyl-5-(6-ethenylpyridazin-4-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-2-methoxyethanone has a molecular weight of 434.54 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-[3-amino-6-cyclopropyl-5-(6-ethenylpyridazin-4-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 89304917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).