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

C24H37ClFN7O3 — CID 58000520

IUPACN-[(2R)-3-[2-[2-chloro-5-fluoro-6-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
SMILESO=CN(O)C[C@@H](CC1CCCC1)C(=O)NNc1nc(Cl)nc(N2CCC[C@H]2CN2CCCCC2)c1F
InChIInChI=1S/C24H37ClFN7O3/c25-24-27-21(29-30-23(35)18(14-32(36)16-34)13-17-7-2-3-8-17)20(26)22(28-24)33-12-6-9-19(33)15-31-10-4-1-5-11-31/h16-19,36H,1-15H2,(H,30,35)(H,27,28,29)/t18-,19+/m1/s1
InChIKeyDIFSNBLLIDNCMD-MOPGFXCFSA-N
MW526.06 g/mol
LogP3.21
Rot. Bonds11

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

N-[(2R)-3-[2-[2-chloro-5-fluoro-6-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide (PubChem CID 58000520) has the molecular formula C24H37ClFN7O3 and a molecular weight of 526.06 g/mol. Its IUPAC name is N-[(2R)-3-[2-[2-chloro-5-fluoro-6-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R)-3-[2-[2-chloro-5-fluoro-6-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
PubChem CID58000520
Molecular FormulaC24H37ClFN7O3
Molecular Weight526.06 g/mol
Exact Mass525.26
IUPAC NameN-[(2R)-3-[2-[2-chloro-5-fluoro-6-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
SMILESO=CN(O)C[C@@H](CC1CCCC1)C(=O)NNc1nc(Cl)nc(N2CCC[C@H]2CN2CCCCC2)c1F
InChIInChI=1S/C24H37ClFN7O3/c25-24-27-21(29-30-23(35)18(14-32(36)16-34)13-17-7-2-3-8-17)20(26)22(28-24)33-12-6-9-19(33)15-31-10-4-1-5-11-31/h16-19,36H,1-15H2,(H,30,35)(H,27,28,29)/t18-,19+/m1/s1
InChIKeyDIFSNBLLIDNCMD-MOPGFXCFSA-N
XLogP3.21
TPSA113.93 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.06
LogP ≤ 53.21
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)-3-[2-[2-chloro-5-fluoro-6-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-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-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide (CID 58000520) is N-[(2R)-3-[2-[2-chloro-5-fluoro-6-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-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-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-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-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide is O=CN(O)C[C@@H](CC1CCCC1)C(=O)NNc1nc(Cl)nc(N2CCC[C@H]2CN2CCCCC2)c1F.
What is the InChIKey of N-[(2R)-3-[2-[2-chloro-5-fluoro-6-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?
The InChIKey is DIFSNBLLIDNCMD-MOPGFXCFSA-N. The full InChI is InChI=1S/C24H37ClFN7O3/c25-24-27-21(29-30-23(35)18(14-32(36)16-34)13-17-7-2-3-8-17)20(26)22(28-24)33-12-6-9-19(33)15-31-10-4-1-5-11-31/h16-19,36H,1-15H2,(H,30,35)(H,27,28,29)/t18-,19+/m1/s1.
What are the key properties of N-[(2R)-3-[2-[2-chloro-5-fluoro-6-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?
N-[(2R)-3-[2-[2-chloro-5-fluoro-6-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide has a molecular weight of 526.06 g/mol, XLogP of 3.21, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-[2-[2-chloro-5-fluoro-6-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide is sourced from PubChem (CID 58000520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).