N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-[(5-fluoro-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide

C20H25F2N7O3 — CID 58000558

IUPACN-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-[(5-fluoro-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
SMILESCc1nc(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)c(F)c(Nc2ccc(F)cn2)n1
InChIInChI=1S/C20H25F2N7O3/c1-12-24-18(26-16-7-6-15(21)9-23-16)17(22)19(25-12)27-28-20(31)14(10-29(32)11-30)8-13-4-2-3-5-13/h6-7,9,11,13-14,32H,2-5,8,10H2,1H3,(H,28,31)(H2,23,24,25,26,27)/t14-/m1/s1
InChIKeyMGZFCUZTLBVUQD-CQSZACIVSA-N
MW449.46 g/mol
LogP2.69
Rot. Bonds10

About N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-[(5-fluoro-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide

N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-[(5-fluoro-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide (PubChem CID 58000558) has the molecular formula C20H25F2N7O3 and a molecular weight of 449.46 g/mol. Its IUPAC name is N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-[(5-fluoro-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-[(5-fluoro-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
PubChem CID58000558
Molecular FormulaC20H25F2N7O3
Molecular Weight449.46 g/mol
Exact Mass449.20
IUPAC NameN-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-[(5-fluoro-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
SMILESCc1nc(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)c(F)c(Nc2ccc(F)cn2)n1
InChIInChI=1S/C20H25F2N7O3/c1-12-24-18(26-16-7-6-15(21)9-23-16)17(22)19(25-12)27-28-20(31)14(10-29(32)11-30)8-13-4-2-3-5-13/h6-7,9,11,13-14,32H,2-5,8,10H2,1H3,(H,28,31)(H2,23,24,25,26,27)/t14-/m1/s1
InChIKeyMGZFCUZTLBVUQD-CQSZACIVSA-N
XLogP2.69
TPSA132.37 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 52.69
H-Bond Donors ≤ 54
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-6-[(5-fluoro-2-pyridinyl)amino]-2-methylpyrimidin-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-6-[(5-fluoro-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-[(5-fluoro-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide (CID 58000558) is N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-[(5-fluoro-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-[(5-fluoro-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-[(5-fluoro-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide is Cc1nc(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)c(F)c(Nc2ccc(F)cn2)n1.
What is the InChIKey of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-[(5-fluoro-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The InChIKey is MGZFCUZTLBVUQD-CQSZACIVSA-N. The full InChI is InChI=1S/C20H25F2N7O3/c1-12-24-18(26-16-7-6-15(21)9-23-16)17(22)19(25-12)27-28-20(31)14(10-29(32)11-30)8-13-4-2-3-5-13/h6-7,9,11,13-14,32H,2-5,8,10H2,1H3,(H,28,31)(H2,23,24,25,26,27)/t14-/m1/s1.
What are the key properties of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-[(5-fluoro-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-[(5-fluoro-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide has a molecular weight of 449.46 g/mol, XLogP of 2.69, 10 rotatable bonds, 4 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-6-[(5-fluoro-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide is sourced from PubChem (CID 58000558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).