N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(3-pyridin-3-ylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide

C24H32FN7O3 — CID 58000560

IUPACN-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(3-pyridin-3-ylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
SMILESCc1nc(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)c(F)c(N2CCC(c3cccnc3)C2)n1
InChIInChI=1S/C24H32FN7O3/c1-16-27-22(29-30-24(34)20(14-32(35)15-33)11-17-5-2-3-6-17)21(25)23(28-16)31-10-8-19(13-31)18-7-4-9-26-12-18/h4,7,9,12,15,17,19-20,35H,2-3,5-6,8,10-11,13-14H2,1H3,(H,30,34)(H,27,28,29)/t19?,20-/m1/s1
InChIKeyZECMYGSVILAXGL-GFOWMXPYSA-N
MW485.56 g/mol
LogP2.80
Rot. Bonds10

About N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(3-pyridin-3-ylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide

N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(3-pyridin-3-ylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide (PubChem CID 58000560) has the molecular formula C24H32FN7O3 and a molecular weight of 485.56 g/mol. Its IUPAC name is N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(3-pyridin-3-ylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(3-pyridin-3-ylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
PubChem CID58000560
Molecular FormulaC24H32FN7O3
Molecular Weight485.56 g/mol
Exact Mass485.26
IUPAC NameN-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(3-pyridin-3-ylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
SMILESCc1nc(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)c(F)c(N2CCC(c3cccnc3)C2)n1
InChIInChI=1S/C24H32FN7O3/c1-16-27-22(29-30-24(34)20(14-32(35)15-33)11-17-5-2-3-6-17)21(25)23(28-16)31-10-8-19(13-31)18-7-4-9-26-12-18/h4,7,9,12,15,17,19-20,35H,2-3,5-6,8,10-11,13-14H2,1H3,(H,30,34)(H,27,28,29)/t19?,20-/m1/s1
InChIKeyZECMYGSVILAXGL-GFOWMXPYSA-N
XLogP2.80
TPSA123.58 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 52.80
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-[5-fluoro-2-methyl-6-(3-pyridin-3-ylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(3-pyridin-3-ylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide (CID 58000560) is N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(3-pyridin-3-ylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(3-pyridin-3-ylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(3-pyridin-3-ylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide is Cc1nc(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)c(F)c(N2CCC(c3cccnc3)C2)n1.
What is the InChIKey of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(3-pyridin-3-ylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The InChIKey is ZECMYGSVILAXGL-GFOWMXPYSA-N. The full InChI is InChI=1S/C24H32FN7O3/c1-16-27-22(29-30-24(34)20(14-32(35)15-33)11-17-5-2-3-6-17)21(25)23(28-16)31-10-8-19(13-31)18-7-4-9-26-12-18/h4,7,9,12,15,17,19-20,35H,2-3,5-6,8,10-11,13-14H2,1H3,(H,30,34)(H,27,28,29)/t19?,20-/m1/s1.
What are the key properties of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(3-pyridin-3-ylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(3-pyridin-3-ylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide has a molecular weight of 485.56 g/mol, XLogP of 2.80, 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-[5-fluoro-2-methyl-6-(3-pyridin-3-ylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide is sourced from PubChem (CID 58000560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).