N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-1-methyl-6-oxopyrimidine-4-carboxamide

C26H29FN4O4 — CID 58786841

IUPACN-[(4-fluorophenyl)methyl]-5-hydroxy-2-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-1-methyl-6-oxopyrimidine-4-carboxamide
SMILESCOC[C@H]1CCCN1Cc1ccc(-c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)cc1
InChIInChI=1S/C26H29FN4O4/c1-30-24(19-9-5-18(6-10-19)15-31-13-3-4-21(31)16-35-2)29-22(23(32)26(30)34)25(33)28-14-17-7-11-20(27)12-8-17/h5-12,21,32H,3-4,13-16H2,1-2H3,(H,28,33)/t21-/m1/s1
InChIKeyAPKWYHRVCIBHSG-OAQYLSRUSA-N
MW480.54 g/mol
LogP2.83
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-1-methyl-6-oxopyrimidine-4-carboxamide

N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-1-methyl-6-oxopyrimidine-4-carboxamide (PubChem CID 58786841) has the molecular formula C26H29FN4O4 and a molecular weight of 480.54 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-1-methyl-6-oxopyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-hydroxy-2-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-1-methyl-6-oxopyrimidine-4-carboxamide
PubChem CID58786841
Molecular FormulaC26H29FN4O4
Molecular Weight480.54 g/mol
Exact Mass480.22
IUPAC NameN-[(4-fluorophenyl)methyl]-5-hydroxy-2-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-1-methyl-6-oxopyrimidine-4-carboxamide
SMILESCOC[C@H]1CCCN1Cc1ccc(-c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)cc1
InChIInChI=1S/C26H29FN4O4/c1-30-24(19-9-5-18(6-10-19)15-31-13-3-4-21(31)16-35-2)29-22(23(32)26(30)34)25(33)28-14-17-7-11-20(27)12-8-17/h5-12,21,32H,3-4,13-16H2,1-2H3,(H,28,33)/t21-/m1/s1
InChIKeyAPKWYHRVCIBHSG-OAQYLSRUSA-N
XLogP2.83
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-1-methyl-6-oxopyrimidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-1-methyl-6-oxopyrimidine-4-carboxamide (CID 58786841) is N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-1-methyl-6-oxopyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-1-methyl-6-oxopyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-1-methyl-6-oxopyrimidine-4-carboxamide is COC[C@H]1CCCN1Cc1ccc(-c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-1-methyl-6-oxopyrimidine-4-carboxamide?
The InChIKey is APKWYHRVCIBHSG-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H29FN4O4/c1-30-24(19-9-5-18(6-10-19)15-31-13-3-4-21(31)16-35-2)29-22(23(32)26(30)34)25(33)28-14-17-7-11-20(27)12-8-17/h5-12,21,32H,3-4,13-16H2,1-2H3,(H,28,33)/t21-/m1/s1.
What are the key properties of N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-1-methyl-6-oxopyrimidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-1-methyl-6-oxopyrimidine-4-carboxamide has a molecular weight of 480.54 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-1-methyl-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 58786841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).