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

C20H31FN6O4 — CID 58000539

IUPACN-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
SMILESCc1nc(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)c(F)c(N2CCOC[C@@H]2C)n1
InChIInChI=1S/C20H31FN6O4/c1-13-11-31-8-7-27(13)19-17(21)18(22-14(2)23-19)24-25-20(29)16(10-26(30)12-28)9-15-5-3-4-6-15/h12-13,15-16,30H,3-11H2,1-2H3,(H,25,29)(H,22,23,24)/t13-,16+/m0/s1
InChIKeyVWLYLHAUOQYIKB-XJKSGUPXSA-N
MW438.50 g/mol
LogP1.64
Rot. Bonds9

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

N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide (PubChem CID 58000539) has the molecular formula C20H31FN6O4 and a molecular weight of 438.50 g/mol. Its IUPAC name is N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
PubChem CID58000539
Molecular FormulaC20H31FN6O4
Molecular Weight438.50 g/mol
Exact Mass438.24
IUPAC NameN-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
SMILESCc1nc(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)c(F)c(N2CCOC[C@@H]2C)n1
InChIInChI=1S/C20H31FN6O4/c1-13-11-31-8-7-27(13)19-17(21)18(22-14(2)23-19)24-25-20(29)16(10-26(30)12-28)9-15-5-3-4-6-15/h12-13,15-16,30H,3-11H2,1-2H3,(H,25,29)(H,22,23,24)/t13-,16+/m0/s1
InChIKeyVWLYLHAUOQYIKB-XJKSGUPXSA-N
XLogP1.64
TPSA119.92 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 51.64
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide (CID 58000539) is N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide is Cc1nc(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)c(F)c(N2CCOC[C@@H]2C)n1.
What is the InChIKey of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The InChIKey is VWLYLHAUOQYIKB-XJKSGUPXSA-N. The full InChI is InChI=1S/C20H31FN6O4/c1-13-11-31-8-7-27(13)19-17(21)18(22-14(2)23-19)24-25-20(29)16(10-26(30)12-28)9-15-5-3-4-6-15/h12-13,15-16,30H,3-11H2,1-2H3,(H,25,29)(H,22,23,24)/t13-,16+/m0/s1.
What are the key properties of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide has a molecular weight of 438.50 g/mol, XLogP of 1.64, 9 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-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide is sourced from PubChem (CID 58000539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).