(2S)-3-phenyl-1-(6-pyridin-4-yl-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl)-2-(1,3-thiazol-5-ylmethylamino)propan-1-one

C23H22N6OS — CID 73355394

IUPAC(2S)-3-phenyl-1-(6-pyridin-4-yl-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl)-2-(1,3-thiazol-5-ylmethylamino)propan-1-one
SMILESO=C([C@H](Cc1ccccc1)NCc1cncs1)N1CCn2nc(-c3ccncc3)cc21
InChIInChI=1S/C23H22N6OS/c30-23(21(12-17-4-2-1-3-5-17)26-15-19-14-25-16-31-19)28-10-11-29-22(28)13-20(27-29)18-6-8-24-9-7-18/h1-9,13-14,16,21,26H,10-12,15H2/t21-/m0/s1
InChIKeyRRVILQFGAICFPT-NRFANRHFSA-N
MW430.54 g/mol
LogP3.15
Rot. Bonds7

About (2S)-3-phenyl-1-(6-pyridin-4-yl-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl)-2-(1,3-thiazol-5-ylmethylamino)propan-1-one

(2S)-3-phenyl-1-(6-pyridin-4-yl-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl)-2-(1,3-thiazol-5-ylmethylamino)propan-1-one (PubChem CID 73355394) has the molecular formula C23H22N6OS and a molecular weight of 430.54 g/mol. Its IUPAC name is (2S)-3-phenyl-1-(6-pyridin-4-yl-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl)-2-(1,3-thiazol-5-ylmethylamino)propan-1-one.

Molecular Properties

Compound Name(2S)-3-phenyl-1-(6-pyridin-4-yl-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl)-2-(1,3-thiazol-5-ylmethylamino)propan-1-one
PubChem CID73355394
Molecular FormulaC23H22N6OS
Molecular Weight430.54 g/mol
Exact Mass430.16
IUPAC Name(2S)-3-phenyl-1-(6-pyridin-4-yl-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl)-2-(1,3-thiazol-5-ylmethylamino)propan-1-one
SMILESO=C([C@H](Cc1ccccc1)NCc1cncs1)N1CCn2nc(-c3ccncc3)cc21
InChIInChI=1S/C23H22N6OS/c30-23(21(12-17-4-2-1-3-5-17)26-15-19-14-25-16-31-19)28-10-11-29-22(28)13-20(27-29)18-6-8-24-9-7-18/h1-9,13-14,16,21,26H,10-12,15H2/t21-/m0/s1
InChIKeyRRVILQFGAICFPT-NRFANRHFSA-N
XLogP3.15
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.54
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-3-phenyl-1-(6-pyridin-4-yl-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl)-2-(1,3-thiazol-5-ylmethylamino)propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-phenyl-1-(6-pyridin-4-yl-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl)-2-(1,3-thiazol-5-ylmethylamino)propan-1-one?
The IUPAC name of (2S)-3-phenyl-1-(6-pyridin-4-yl-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl)-2-(1,3-thiazol-5-ylmethylamino)propan-1-one (CID 73355394) is (2S)-3-phenyl-1-(6-pyridin-4-yl-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl)-2-(1,3-thiazol-5-ylmethylamino)propan-1-one.
What is the SMILES notation for (2S)-3-phenyl-1-(6-pyridin-4-yl-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl)-2-(1,3-thiazol-5-ylmethylamino)propan-1-one?
The canonical SMILES for (2S)-3-phenyl-1-(6-pyridin-4-yl-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl)-2-(1,3-thiazol-5-ylmethylamino)propan-1-one is O=C([C@H](Cc1ccccc1)NCc1cncs1)N1CCn2nc(-c3ccncc3)cc21.
What is the InChIKey of (2S)-3-phenyl-1-(6-pyridin-4-yl-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl)-2-(1,3-thiazol-5-ylmethylamino)propan-1-one?
The InChIKey is RRVILQFGAICFPT-NRFANRHFSA-N. The full InChI is InChI=1S/C23H22N6OS/c30-23(21(12-17-4-2-1-3-5-17)26-15-19-14-25-16-31-19)28-10-11-29-22(28)13-20(27-29)18-6-8-24-9-7-18/h1-9,13-14,16,21,26H,10-12,15H2/t21-/m0/s1.
What are the key properties of (2S)-3-phenyl-1-(6-pyridin-4-yl-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl)-2-(1,3-thiazol-5-ylmethylamino)propan-1-one?
(2S)-3-phenyl-1-(6-pyridin-4-yl-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl)-2-(1,3-thiazol-5-ylmethylamino)propan-1-one has a molecular weight of 430.54 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-phenyl-1-(6-pyridin-4-yl-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl)-2-(1,3-thiazol-5-ylmethylamino)propan-1-one is sourced from PubChem (CID 73355394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).