N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(cyclopropylamino)-2-(difluoromethyl)-5-fluoropyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide

C18H25F3N6O3 — CID 58000521

IUPACN-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(cyclopropylamino)-2-(difluoromethyl)-5-fluoropyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
SMILESO=CN(O)C[C@@H](CC1CCCC1)C(=O)NNc1nc(C(F)F)nc(NC2CC2)c1F
InChIInChI=1S/C18H25F3N6O3/c19-13-15(22-12-5-6-12)23-17(14(20)21)24-16(13)25-26-18(29)11(8-27(30)9-28)7-10-3-1-2-4-10/h9-12,14,30H,1-8H2,(H,26,29)(H2,22,23,24,25)/t11-/m1/s1
InChIKeyCUBOEAAXTCNQTJ-LLVKDONJSA-N
MW430.43 g/mol
LogP2.61
Rot. Bonds11

About N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(cyclopropylamino)-2-(difluoromethyl)-5-fluoropyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide

N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(cyclopropylamino)-2-(difluoromethyl)-5-fluoropyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide (PubChem CID 58000521) has the molecular formula C18H25F3N6O3 and a molecular weight of 430.43 g/mol. Its IUPAC name is N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(cyclopropylamino)-2-(difluoromethyl)-5-fluoropyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(cyclopropylamino)-2-(difluoromethyl)-5-fluoropyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
PubChem CID58000521
Molecular FormulaC18H25F3N6O3
Molecular Weight430.43 g/mol
Exact Mass430.19
IUPAC NameN-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(cyclopropylamino)-2-(difluoromethyl)-5-fluoropyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
SMILESO=CN(O)C[C@@H](CC1CCCC1)C(=O)NNc1nc(C(F)F)nc(NC2CC2)c1F
InChIInChI=1S/C18H25F3N6O3/c19-13-15(22-12-5-6-12)23-17(14(20)21)24-16(13)25-26-18(29)11(8-27(30)9-28)7-10-3-1-2-4-10/h9-12,14,30H,1-8H2,(H,26,29)(H2,22,23,24,25)/t11-/m1/s1
InChIKeyCUBOEAAXTCNQTJ-LLVKDONJSA-N
XLogP2.61
TPSA119.48 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 52.61
H-Bond Donors ≤ 54
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)-2-(cyclopentylmethyl)-3-[2-[6-(cyclopropylamino)-2-(difluoromethyl)-5-fluoropyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(cyclopropylamino)-2-(difluoromethyl)-5-fluoropyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide (CID 58000521) is N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(cyclopropylamino)-2-(difluoromethyl)-5-fluoropyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(cyclopropylamino)-2-(difluoromethyl)-5-fluoropyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(cyclopropylamino)-2-(difluoromethyl)-5-fluoropyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide is O=CN(O)C[C@@H](CC1CCCC1)C(=O)NNc1nc(C(F)F)nc(NC2CC2)c1F.
What is the InChIKey of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(cyclopropylamino)-2-(difluoromethyl)-5-fluoropyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The InChIKey is CUBOEAAXTCNQTJ-LLVKDONJSA-N. The full InChI is InChI=1S/C18H25F3N6O3/c19-13-15(22-12-5-6-12)23-17(14(20)21)24-16(13)25-26-18(29)11(8-27(30)9-28)7-10-3-1-2-4-10/h9-12,14,30H,1-8H2,(H,26,29)(H2,22,23,24,25)/t11-/m1/s1.
What are the key properties of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(cyclopropylamino)-2-(difluoromethyl)-5-fluoropyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(cyclopropylamino)-2-(difluoromethyl)-5-fluoropyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide has a molecular weight of 430.43 g/mol, XLogP of 2.61, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(cyclopropylamino)-2-(difluoromethyl)-5-fluoropyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide is sourced from PubChem (CID 58000521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).