(Z)-1-N-[(4R)-2-ethyl-1,2-oxazolidin-4-yl]-1-N'-[4-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-phenylpyrazol-3-yl]but-1-ene-1,1-diamine

C26H40N6O — CID 134567806

IUPAC(Z)-1-N-[(4R)-2-ethyl-1,2-oxazolidin-4-yl]-1-N'-[4-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-phenylpyrazol-3-yl]but-1-ene-1,1-diamine
SMILESCC/C=C(\Nc1c(C)c(CC2CCN(C)CC2)nn1-c1ccccc1)N[C@H]1CON(CC)C1
InChIInChI=1S/C26H40N6O/c1-5-10-25(27-22-18-31(6-2)33-19-22)28-26-20(3)24(17-21-13-15-30(4)16-14-21)29-32(26)23-11-8-7-9-12-23/h7-12,21-22,27-28H,5-6,13-19H2,1-4H3/b25-10-/t22-/m1/s1
InChIKeyNMQALSCAGMOVRF-FJDCRPPKSA-N
MW452.65 g/mol
LogP3.95
Rot. Bonds9

About (Z)-1-N-[(4R)-2-ethyl-1,2-oxazolidin-4-yl]-1-N'-[4-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-phenylpyrazol-3-yl]but-1-ene-1,1-diamine

(Z)-1-N-[(4R)-2-ethyl-1,2-oxazolidin-4-yl]-1-N'-[4-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-phenylpyrazol-3-yl]but-1-ene-1,1-diamine (PubChem CID 134567806) has the molecular formula C26H40N6O and a molecular weight of 452.65 g/mol. Its IUPAC name is (Z)-1-N-[(4R)-2-ethyl-1,2-oxazolidin-4-yl]-1-N'-[4-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-phenylpyrazol-3-yl]but-1-ene-1,1-diamine.

Molecular Properties

Compound Name(Z)-1-N-[(4R)-2-ethyl-1,2-oxazolidin-4-yl]-1-N'-[4-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-phenylpyrazol-3-yl]but-1-ene-1,1-diamine
PubChem CID134567806
Molecular FormulaC26H40N6O
Molecular Weight452.65 g/mol
Exact Mass452.33
IUPAC Name(Z)-1-N-[(4R)-2-ethyl-1,2-oxazolidin-4-yl]-1-N'-[4-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-phenylpyrazol-3-yl]but-1-ene-1,1-diamine
SMILESCC/C=C(\Nc1c(C)c(CC2CCN(C)CC2)nn1-c1ccccc1)N[C@H]1CON(CC)C1
InChIInChI=1S/C26H40N6O/c1-5-10-25(27-22-18-31(6-2)33-19-22)28-26-20(3)24(17-21-13-15-30(4)16-14-21)29-32(26)23-11-8-7-9-12-23/h7-12,21-22,27-28H,5-6,13-19H2,1-4H3/b25-10-/t22-/m1/s1
InChIKeyNMQALSCAGMOVRF-FJDCRPPKSA-N
XLogP3.95
TPSA57.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.65
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (Z)-1-N-[(4R)-2-ethyl-1,2-oxazolidin-4-yl]-1-N'-[4-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-phenylpyrazol-3-yl]but-1-ene-1,1-diamine with MolForge

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Related Compounds

1-[(4R)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
CID 145229098
1-[(4R,5S)-2-ethyl-5-phenyl-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
CID 135230656
1-[3-(3-acetylphenyl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea
CID 134567837
acetylene;1,2-difluorobenzene;5-[(dimethylamino)methyl]-N,4-dimethyl-2-phenylpyrazol-3-amine;N-[2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]formamide
CID 145229048
[4-methyl-3-[(4-methylmorpholin-2-yl)methoxy]-1-phenylpyrazol-5-yl]urea
CID 144629265
acetylene;N-[(4R)-2-butyl-1,2-oxazolidin-4-yl]formamide;1,2-difluorobenzene;methyl N-ethenyl-N'-[2-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]ethyl]carbamimidate
CID 145228916
5-benzyl-N-(1-methylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692844
2-(2,5-dioxoimidazolidin-1-yl)-N-(5-ethyl-4-methyl-2-phenylpyrazol-3-yl)acetamide
CID 46995129
5-[[4,5-dichloro-2-(3-methoxypropyl)phenyl]carbamoylamino]-4-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-3-carboxamide
CID 74767281
acetylene;1,2-difluorobenzene;N,4-dimethyl-3-(1-methylazetidin-3-yl)oxy-1-phenylpyrazol-5-amine;N-[2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]formamide
CID 145228802
4-benzyl-1-methylpiperidine;ethane
CID 142009767
N-[(4R,5S)-2-ethyl-5-phenyl-1,2-oxazolidin-4-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide
CID 157131049

Frequently Asked Questions

What is the IUPAC name of (Z)-1-N-[(4R)-2-ethyl-1,2-oxazolidin-4-yl]-1-N'-[4-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-phenylpyrazol-3-yl]but-1-ene-1,1-diamine?
The IUPAC name of (Z)-1-N-[(4R)-2-ethyl-1,2-oxazolidin-4-yl]-1-N'-[4-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-phenylpyrazol-3-yl]but-1-ene-1,1-diamine (CID 134567806) is (Z)-1-N-[(4R)-2-ethyl-1,2-oxazolidin-4-yl]-1-N'-[4-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-phenylpyrazol-3-yl]but-1-ene-1,1-diamine.
What is the SMILES notation for (Z)-1-N-[(4R)-2-ethyl-1,2-oxazolidin-4-yl]-1-N'-[4-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-phenylpyrazol-3-yl]but-1-ene-1,1-diamine?
The canonical SMILES for (Z)-1-N-[(4R)-2-ethyl-1,2-oxazolidin-4-yl]-1-N'-[4-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-phenylpyrazol-3-yl]but-1-ene-1,1-diamine is CC/C=C(\Nc1c(C)c(CC2CCN(C)CC2)nn1-c1ccccc1)N[C@H]1CON(CC)C1.
What is the InChIKey of (Z)-1-N-[(4R)-2-ethyl-1,2-oxazolidin-4-yl]-1-N'-[4-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-phenylpyrazol-3-yl]but-1-ene-1,1-diamine?
The InChIKey is NMQALSCAGMOVRF-FJDCRPPKSA-N. The full InChI is InChI=1S/C26H40N6O/c1-5-10-25(27-22-18-31(6-2)33-19-22)28-26-20(3)24(17-21-13-15-30(4)16-14-21)29-32(26)23-11-8-7-9-12-23/h7-12,21-22,27-28H,5-6,13-19H2,1-4H3/b25-10-/t22-/m1/s1.
What are the key properties of (Z)-1-N-[(4R)-2-ethyl-1,2-oxazolidin-4-yl]-1-N'-[4-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-phenylpyrazol-3-yl]but-1-ene-1,1-diamine?
(Z)-1-N-[(4R)-2-ethyl-1,2-oxazolidin-4-yl]-1-N'-[4-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-phenylpyrazol-3-yl]but-1-ene-1,1-diamine has a molecular weight of 452.65 g/mol, XLogP of 3.95, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-[(4R)-2-ethyl-1,2-oxazolidin-4-yl]-1-N'-[4-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-phenylpyrazol-3-yl]but-1-ene-1,1-diamine is sourced from PubChem (CID 134567806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).