N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-(fluoromethyl)-6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide

C20H30F2N6O4 — CID 58000523

IUPACN-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-(fluoromethyl)-6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
SMILESCO[C@H]1CCN(c2nc(CF)nc(NNC(=O)[C@H](CC3CCCC3)CN(O)C=O)c2F)C1
InChIInChI=1S/C20H30F2N6O4/c1-32-15-6-7-27(11-15)19-17(22)18(23-16(9-21)24-19)25-26-20(30)14(10-28(31)12-29)8-13-4-2-3-5-13/h12-15,31H,2-11H2,1H3,(H,26,30)(H,23,24,25)/t14-,15+/m1/s1
InChIKeyMPLLUIBMHLKTKS-CABCVRRESA-N
MW456.49 g/mol
LogP1.80
Rot. Bonds11

About N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-(fluoromethyl)-6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide

N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-(fluoromethyl)-6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide (PubChem CID 58000523) has the molecular formula C20H30F2N6O4 and a molecular weight of 456.49 g/mol. Its IUPAC name is N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-(fluoromethyl)-6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-(fluoromethyl)-6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
PubChem CID58000523
Molecular FormulaC20H30F2N6O4
Molecular Weight456.49 g/mol
Exact Mass456.23
IUPAC NameN-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-(fluoromethyl)-6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
SMILESCO[C@H]1CCN(c2nc(CF)nc(NNC(=O)[C@H](CC3CCCC3)CN(O)C=O)c2F)C1
InChIInChI=1S/C20H30F2N6O4/c1-32-15-6-7-27(11-15)19-17(22)18(23-16(9-21)24-19)25-26-20(30)14(10-28(31)12-29)8-13-4-2-3-5-13/h12-15,31H,2-11H2,1H3,(H,26,30)(H,23,24,25)/t14-,15+/m1/s1
InChIKeyMPLLUIBMHLKTKS-CABCVRRESA-N
XLogP1.80
TPSA119.92 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.49
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-(fluoromethyl)-6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-(fluoromethyl)-6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-(fluoromethyl)-6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide (CID 58000523) is N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-(fluoromethyl)-6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-(fluoromethyl)-6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-(fluoromethyl)-6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide is CO[C@H]1CCN(c2nc(CF)nc(NNC(=O)[C@H](CC3CCCC3)CN(O)C=O)c2F)C1.
What is the InChIKey of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-(fluoromethyl)-6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The InChIKey is MPLLUIBMHLKTKS-CABCVRRESA-N. The full InChI is InChI=1S/C20H30F2N6O4/c1-32-15-6-7-27(11-15)19-17(22)18(23-16(9-21)24-19)25-26-20(30)14(10-28(31)12-29)8-13-4-2-3-5-13/h12-15,31H,2-11H2,1H3,(H,26,30)(H,23,24,25)/t14-,15+/m1/s1.
What are the key properties of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-(fluoromethyl)-6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-(fluoromethyl)-6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide has a molecular weight of 456.49 g/mol, XLogP of 1.80, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-(fluoromethyl)-6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide is sourced from PubChem (CID 58000523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).