(2R)-N'-(2-fluoroacetyl)-2-[2-(1H-indol-2-yl)-2-oxoethyl]-4-methyl-N'-[[(1R)-2-oxocyclopentyl]methyl]pentanehydrazide

C24H30FN3O4 — CID 163541347

IUPAC(2R)-N'-(2-fluoroacetyl)-2-[2-(1H-indol-2-yl)-2-oxoethyl]-4-methyl-N'-[[(1R)-2-oxocyclopentyl]methyl]pentanehydrazide
SMILESCC(C)CC(CC(=O)c1cc2ccccc2[nH]1)C(=O)NN(C[C@H]1CCCC1=O)C(=O)CF
InChIInChI=1S/C24H30FN3O4/c1-15(2)10-18(12-22(30)20-11-16-6-3-4-8-19(16)26-20)24(32)27-28(23(31)13-25)14-17-7-5-9-21(17)29/h3-4,6,8,11,15,17-18,26H,5,7,9-10,12-14H2,1-2H3,(H,27,32)/t17-,18?/m1/s1
InChIKeyPVLIMYOUOYEIOH-QNSVNVJESA-N
MW443.52 g/mol
LogP3.60
Rot. Bonds9

About (2R)-N'-(2-fluoroacetyl)-2-[2-(1H-indol-2-yl)-2-oxoethyl]-4-methyl-N'-[[(1R)-2-oxocyclopentyl]methyl]pentanehydrazide

(2R)-N'-(2-fluoroacetyl)-2-[2-(1H-indol-2-yl)-2-oxoethyl]-4-methyl-N'-[[(1R)-2-oxocyclopentyl]methyl]pentanehydrazide (PubChem CID 163541347) has the molecular formula C24H30FN3O4 and a molecular weight of 443.52 g/mol. Its IUPAC name is (2R)-N'-(2-fluoroacetyl)-2-[2-(1H-indol-2-yl)-2-oxoethyl]-4-methyl-N'-[[(1R)-2-oxocyclopentyl]methyl]pentanehydrazide.

Molecular Properties

Compound Name(2R)-N'-(2-fluoroacetyl)-2-[2-(1H-indol-2-yl)-2-oxoethyl]-4-methyl-N'-[[(1R)-2-oxocyclopentyl]methyl]pentanehydrazide
PubChem CID163541347
Molecular FormulaC24H30FN3O4
Molecular Weight443.52 g/mol
Exact Mass443.22
IUPAC Name(2R)-N'-(2-fluoroacetyl)-2-[2-(1H-indol-2-yl)-2-oxoethyl]-4-methyl-N'-[[(1R)-2-oxocyclopentyl]methyl]pentanehydrazide
SMILESCC(C)CC(CC(=O)c1cc2ccccc2[nH]1)C(=O)NN(C[C@H]1CCCC1=O)C(=O)CF
InChIInChI=1S/C24H30FN3O4/c1-15(2)10-18(12-22(30)20-11-16-6-3-4-8-19(16)26-20)24(32)27-28(23(31)13-25)14-17-7-5-9-21(17)29/h3-4,6,8,11,15,17-18,26H,5,7,9-10,12-14H2,1-2H3,(H,27,32)/t17-,18?/m1/s1
InChIKeyPVLIMYOUOYEIOH-QNSVNVJESA-N
XLogP3.60
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-[2-(2-fluoroacetyl)-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CID 162739125
N-[(2R)-1-[2-(2-chloroacetyl)-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CID 162739148
N-[(2S)-1-[2-(2-chloroacetyl)-2-[(2-oxopyrrolidin-3-yl)methyl]hydrazinyl]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CID 162680131
(2R)-2-benzyl-N-[(2S)-4-(benzylamino)-3,4-dioxo-1-[(1S)-2-oxocyclopentyl]butan-2-yl]-4-(1H-indol-2-yl)-4-oxobutanamide
CID 165030007
N'-[(2R)-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanoyl]-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]aziridine-2-carbohydrazide
CID 167611884
(2R)-N-[(1S)-1-cyano-2-[(1S)-2-oxocyclohexyl]ethyl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide
CID 157340956
(2R)-N-[(2S)-4-(cyclohexylamino)-3,4-dioxo-1-[(1S)-2-oxocyclopentyl]butan-2-yl]-2-[(3,4-difluorophenyl)methyl]-4-(1H-indol-2-yl)-4-oxobutanamide
CID 165044298
3-[(2-chloroacetyl)-[[(2R)-4-methyl-2-[2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pentanoyl]amino]amino]propanamide
CID 163708415
(2R)-2-benzyl-N-[(2S)-4-(benzylamino)-3,4-dioxo-1-[(1S)-2-oxocyclopentyl]butan-2-yl]-4-(5-fluoro-1H-indol-2-yl)-4-oxobutanamide
CID 165101539
3-[[(2S)-2-chloro-2-fluoroacetyl]-[[(2R)-4-methyl-2-[2-oxo-2-(1H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]pentanoyl]amino]amino]propanamide
CID 163432680
(2R)-N-[(2S)-4-(benzylamino)-3,4-dioxo-1-[(1S)-2-oxocyclopentyl]butan-2-yl]-4-methyl-2-(2-oxo-2-quinolin-2-ylethyl)pentanamide
CID 165065279
(2S,4S)-4-cyclopropyl-N-[(2S)-3,4-dioxo-1-[(1S)-2-oxocyclopentyl]-4-(propan-2-ylamino)butan-2-yl]-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide
CID 163525983

Frequently Asked Questions

What is the IUPAC name of (2R)-N'-(2-fluoroacetyl)-2-[2-(1H-indol-2-yl)-2-oxoethyl]-4-methyl-N'-[[(1R)-2-oxocyclopentyl]methyl]pentanehydrazide?
The IUPAC name of (2R)-N'-(2-fluoroacetyl)-2-[2-(1H-indol-2-yl)-2-oxoethyl]-4-methyl-N'-[[(1R)-2-oxocyclopentyl]methyl]pentanehydrazide (CID 163541347) is (2R)-N'-(2-fluoroacetyl)-2-[2-(1H-indol-2-yl)-2-oxoethyl]-4-methyl-N'-[[(1R)-2-oxocyclopentyl]methyl]pentanehydrazide.
What is the SMILES notation for (2R)-N'-(2-fluoroacetyl)-2-[2-(1H-indol-2-yl)-2-oxoethyl]-4-methyl-N'-[[(1R)-2-oxocyclopentyl]methyl]pentanehydrazide?
The canonical SMILES for (2R)-N'-(2-fluoroacetyl)-2-[2-(1H-indol-2-yl)-2-oxoethyl]-4-methyl-N'-[[(1R)-2-oxocyclopentyl]methyl]pentanehydrazide is CC(C)CC(CC(=O)c1cc2ccccc2[nH]1)C(=O)NN(C[C@H]1CCCC1=O)C(=O)CF.
What is the InChIKey of (2R)-N'-(2-fluoroacetyl)-2-[2-(1H-indol-2-yl)-2-oxoethyl]-4-methyl-N'-[[(1R)-2-oxocyclopentyl]methyl]pentanehydrazide?
The InChIKey is PVLIMYOUOYEIOH-QNSVNVJESA-N. The full InChI is InChI=1S/C24H30FN3O4/c1-15(2)10-18(12-22(30)20-11-16-6-3-4-8-19(16)26-20)24(32)27-28(23(31)13-25)14-17-7-5-9-21(17)29/h3-4,6,8,11,15,17-18,26H,5,7,9-10,12-14H2,1-2H3,(H,27,32)/t17-,18?/m1/s1.
What are the key properties of (2R)-N'-(2-fluoroacetyl)-2-[2-(1H-indol-2-yl)-2-oxoethyl]-4-methyl-N'-[[(1R)-2-oxocyclopentyl]methyl]pentanehydrazide?
(2R)-N'-(2-fluoroacetyl)-2-[2-(1H-indol-2-yl)-2-oxoethyl]-4-methyl-N'-[[(1R)-2-oxocyclopentyl]methyl]pentanehydrazide has a molecular weight of 443.52 g/mol, XLogP of 3.60, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-(2-fluoroacetyl)-2-[2-(1H-indol-2-yl)-2-oxoethyl]-4-methyl-N'-[[(1R)-2-oxocyclopentyl]methyl]pentanehydrazide is sourced from PubChem (CID 163541347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).