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

C18H26ClFN6O3 — CID 58000570

IUPACN-[(2R)-3-[2-[2-chloro-5-fluoro-6-(2-methylazetidin-1-yl)pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
SMILESCC1CCN1c1nc(Cl)nc(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)c1F
InChIInChI=1S/C18H26ClFN6O3/c1-11-6-7-26(11)16-14(20)15(21-18(19)22-16)23-24-17(28)13(9-25(29)10-27)8-12-4-2-3-5-12/h10-13,29H,2-9H2,1H3,(H,24,28)(H,21,22,23)/t11?,13-/m1/s1
InChIKeyUTUQTOOAXZUJRV-GLGOKHISSA-N
MW428.90 g/mol
LogP2.35
Rot. Bonds9

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

N-[(2R)-3-[2-[2-chloro-5-fluoro-6-(2-methylazetidin-1-yl)pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide (PubChem CID 58000570) has the molecular formula C18H26ClFN6O3 and a molecular weight of 428.90 g/mol. Its IUPAC name is N-[(2R)-3-[2-[2-chloro-5-fluoro-6-(2-methylazetidin-1-yl)pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R)-3-[2-[2-chloro-5-fluoro-6-(2-methylazetidin-1-yl)pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
PubChem CID58000570
Molecular FormulaC18H26ClFN6O3
Molecular Weight428.90 g/mol
Exact Mass428.17
IUPAC NameN-[(2R)-3-[2-[2-chloro-5-fluoro-6-(2-methylazetidin-1-yl)pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
SMILESCC1CCN1c1nc(Cl)nc(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)c1F
InChIInChI=1S/C18H26ClFN6O3/c1-11-6-7-26(11)16-14(20)15(21-18(19)22-16)23-24-17(28)13(9-25(29)10-27)8-12-4-2-3-5-12/h10-13,29H,2-9H2,1H3,(H,24,28)(H,21,22,23)/t11?,13-/m1/s1
InChIKeyUTUQTOOAXZUJRV-GLGOKHISSA-N
XLogP2.35
TPSA110.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.90
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-[2-[2-chloro-5-fluoro-6-(2-methylazetidin-1-yl)pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-3-[2-[2-chloro-5-fluoro-6-(2-methylazetidin-1-yl)pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide (CID 58000570) is N-[(2R)-3-[2-[2-chloro-5-fluoro-6-(2-methylazetidin-1-yl)pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-3-[2-[2-chloro-5-fluoro-6-(2-methylazetidin-1-yl)pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-3-[2-[2-chloro-5-fluoro-6-(2-methylazetidin-1-yl)pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide is CC1CCN1c1nc(Cl)nc(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)c1F.
What is the InChIKey of N-[(2R)-3-[2-[2-chloro-5-fluoro-6-(2-methylazetidin-1-yl)pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?
The InChIKey is UTUQTOOAXZUJRV-GLGOKHISSA-N. The full InChI is InChI=1S/C18H26ClFN6O3/c1-11-6-7-26(11)16-14(20)15(21-18(19)22-16)23-24-17(28)13(9-25(29)10-27)8-12-4-2-3-5-12/h10-13,29H,2-9H2,1H3,(H,24,28)(H,21,22,23)/t11?,13-/m1/s1.
What are the key properties of N-[(2R)-3-[2-[2-chloro-5-fluoro-6-(2-methylazetidin-1-yl)pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?
N-[(2R)-3-[2-[2-chloro-5-fluoro-6-(2-methylazetidin-1-yl)pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide has a molecular weight of 428.90 g/mol, XLogP of 2.35, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-[2-[2-chloro-5-fluoro-6-(2-methylazetidin-1-yl)pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide is sourced from PubChem (CID 58000570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).