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

C21H33F2N7O3 — CID 58000549

IUPACN-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-[(2R)-2,4-dimethylpiperazin-1-yl]-5-fluoro-2-(fluoromethyl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
SMILESC[C@@H]1CN(C)CCN1c1nc(CF)nc(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)c1F
InChIInChI=1S/C21H33F2N7O3/c1-14-11-28(2)7-8-30(14)20-18(23)19(24-17(10-22)25-20)26-27-21(32)16(12-29(33)13-31)9-15-5-3-4-6-15/h13-16,33H,3-12H2,1-2H3,(H,27,32)(H,24,25,26)/t14-,16-/m1/s1
InChIKeyODWXYMHVXXOGTA-GDBMZVCRSA-N
MW469.54 g/mol
LogP1.71
Rot. Bonds10

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

N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-[(2R)-2,4-dimethylpiperazin-1-yl]-5-fluoro-2-(fluoromethyl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide (PubChem CID 58000549) has the molecular formula C21H33F2N7O3 and a molecular weight of 469.54 g/mol. Its IUPAC name is N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-[(2R)-2,4-dimethylpiperazin-1-yl]-5-fluoro-2-(fluoromethyl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-[(2R)-2,4-dimethylpiperazin-1-yl]-5-fluoro-2-(fluoromethyl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
PubChem CID58000549
Molecular FormulaC21H33F2N7O3
Molecular Weight469.54 g/mol
Exact Mass469.26
IUPAC NameN-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-[(2R)-2,4-dimethylpiperazin-1-yl]-5-fluoro-2-(fluoromethyl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
SMILESC[C@@H]1CN(C)CCN1c1nc(CF)nc(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)c1F
InChIInChI=1S/C21H33F2N7O3/c1-14-11-28(2)7-8-30(14)20-18(23)19(24-17(10-22)25-20)26-27-21(32)16(12-29(33)13-31)9-15-5-3-4-6-15/h13-16,33H,3-12H2,1-2H3,(H,27,32)(H,24,25,26)/t14-,16-/m1/s1
InChIKeyODWXYMHVXXOGTA-GDBMZVCRSA-N
XLogP1.71
TPSA113.93 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 51.71
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-[6-[(2R)-2,4-dimethylpiperazin-1-yl]-5-fluoro-2-(fluoromethyl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-[(2R)-2,4-dimethylpiperazin-1-yl]-5-fluoro-2-(fluoromethyl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide (CID 58000549) is N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-[(2R)-2,4-dimethylpiperazin-1-yl]-5-fluoro-2-(fluoromethyl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-[(2R)-2,4-dimethylpiperazin-1-yl]-5-fluoro-2-(fluoromethyl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-[(2R)-2,4-dimethylpiperazin-1-yl]-5-fluoro-2-(fluoromethyl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide is C[C@@H]1CN(C)CCN1c1nc(CF)nc(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)c1F.
What is the InChIKey of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-[(2R)-2,4-dimethylpiperazin-1-yl]-5-fluoro-2-(fluoromethyl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The InChIKey is ODWXYMHVXXOGTA-GDBMZVCRSA-N. The full InChI is InChI=1S/C21H33F2N7O3/c1-14-11-28(2)7-8-30(14)20-18(23)19(24-17(10-22)25-20)26-27-21(32)16(12-29(33)13-31)9-15-5-3-4-6-15/h13-16,33H,3-12H2,1-2H3,(H,27,32)(H,24,25,26)/t14-,16-/m1/s1.
What are the key properties of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-[(2R)-2,4-dimethylpiperazin-1-yl]-5-fluoro-2-(fluoromethyl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-[(2R)-2,4-dimethylpiperazin-1-yl]-5-fluoro-2-(fluoromethyl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide has a molecular weight of 469.54 g/mol, XLogP of 1.71, 10 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-[6-[(2R)-2,4-dimethylpiperazin-1-yl]-5-fluoro-2-(fluoromethyl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide is sourced from PubChem (CID 58000549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).