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

C23H35ClFN7O4 — CID 58000710

IUPACN-[(2R)-3-[2-[2-chloro-5-fluoro-6-[(2R)-2-(morpholin-4-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]2CN2CCOCC2)c1F
InChIInChI=1S/C23H35ClFN7O4/c24-23-26-20(28-29-22(34)17(13-31(35)15-33)12-16-4-1-2-5-16)19(25)21(27-23)32-7-3-6-18(32)14-30-8-10-36-11-9-30/h15-18,35H,1-14H2,(H,29,34)(H,26,27,28)/t17-,18-/m1/s1
InChIKeyLLAVNLVWJDEYCS-QZTJIDSGSA-N
MW528.03 g/mol
LogP2.06
Rot. Bonds11

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

N-[(2R)-3-[2-[2-chloro-5-fluoro-6-[(2R)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide (PubChem CID 58000710) has the molecular formula C23H35ClFN7O4 and a molecular weight of 528.03 g/mol. Its IUPAC name is N-[(2R)-3-[2-[2-chloro-5-fluoro-6-[(2R)-2-(morpholin-4-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-[(2R)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
PubChem CID58000710
Molecular FormulaC23H35ClFN7O4
Molecular Weight528.03 g/mol
Exact Mass527.24
IUPAC NameN-[(2R)-3-[2-[2-chloro-5-fluoro-6-[(2R)-2-(morpholin-4-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]2CN2CCOCC2)c1F
InChIInChI=1S/C23H35ClFN7O4/c24-23-26-20(28-29-22(34)17(13-31(35)15-33)12-16-4-1-2-5-16)19(25)21(27-23)32-7-3-6-18(32)14-30-8-10-36-11-9-30/h15-18,35H,1-14H2,(H,29,34)(H,26,27,28)/t17-,18-/m1/s1
InChIKeyLLAVNLVWJDEYCS-QZTJIDSGSA-N
XLogP2.06
TPSA123.16 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.03
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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-[(2R)-2-(morpholin-4-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-[(2R)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide (CID 58000710) is N-[(2R)-3-[2-[2-chloro-5-fluoro-6-[(2R)-2-(morpholin-4-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-[(2R)-2-(morpholin-4-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-[(2R)-2-(morpholin-4-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]2CN2CCOCC2)c1F.
What is the InChIKey of N-[(2R)-3-[2-[2-chloro-5-fluoro-6-[(2R)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?
The InChIKey is LLAVNLVWJDEYCS-QZTJIDSGSA-N. The full InChI is InChI=1S/C23H35ClFN7O4/c24-23-26-20(28-29-22(34)17(13-31(35)15-33)12-16-4-1-2-5-16)19(25)21(27-23)32-7-3-6-18(32)14-30-8-10-36-11-9-30/h15-18,35H,1-14H2,(H,29,34)(H,26,27,28)/t17-,18-/m1/s1.
What are the key properties of N-[(2R)-3-[2-[2-chloro-5-fluoro-6-[(2R)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?
N-[(2R)-3-[2-[2-chloro-5-fluoro-6-[(2R)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide has a molecular weight of 528.03 g/mol, XLogP of 2.06, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-[2-[2-chloro-5-fluoro-6-[(2R)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide is sourced from PubChem (CID 58000710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).