N-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]cyclopropanecarboxamide

C24H24FN5O3 — CID 11683809

IUPACN-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]cyclopropanecarboxamide
SMILESCn1c(N2CCO[C@@H](c3ccc(NC(=O)C4CC4)cc3)C2)nc(-c2ccncc2F)cc1=O
InChIInChI=1S/C24H24FN5O3/c1-29-22(31)12-20(18-8-9-26-13-19(18)25)28-24(29)30-10-11-33-21(14-30)15-4-6-17(7-5-15)27-23(32)16-2-3-16/h4-9,12-13,16,21H,2-3,10-11,14H2,1H3,(H,27,32)/t21-/m1/s1
InChIKeyWFSMRNKVZGFMMV-OAQYLSRUSA-N
MW449.49 g/mol
LogP2.91
Rot. Bonds5

About N-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]cyclopropanecarboxamide

N-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]cyclopropanecarboxamide (PubChem CID 11683809) has the molecular formula C24H24FN5O3 and a molecular weight of 449.49 g/mol. Its IUPAC name is N-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]cyclopropanecarboxamide
PubChem CID11683809
Molecular FormulaC24H24FN5O3
Molecular Weight449.49 g/mol
Exact Mass449.19
IUPAC NameN-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]cyclopropanecarboxamide
SMILESCn1c(N2CCO[C@@H](c3ccc(NC(=O)C4CC4)cc3)C2)nc(-c2ccncc2F)cc1=O
InChIInChI=1S/C24H24FN5O3/c1-29-22(31)12-20(18-8-9-26-13-19(18)25)28-24(29)30-10-11-33-21(14-30)15-4-6-17(7-5-15)27-23(32)16-2-3-16/h4-9,12-13,16,21H,2-3,10-11,14H2,1H3,(H,27,32)/t21-/m1/s1
InChIKeyWFSMRNKVZGFMMV-OAQYLSRUSA-N
XLogP2.91
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]cyclopropanecarboxamide (CID 11683809) is N-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]cyclopropanecarboxamide is Cn1c(N2CCO[C@@H](c3ccc(NC(=O)C4CC4)cc3)C2)nc(-c2ccncc2F)cc1=O.
What is the InChIKey of N-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]cyclopropanecarboxamide?
The InChIKey is WFSMRNKVZGFMMV-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H24FN5O3/c1-29-22(31)12-20(18-8-9-26-13-19(18)25)28-24(29)30-10-11-33-21(14-30)15-4-6-17(7-5-15)27-23(32)16-2-3-16/h4-9,12-13,16,21H,2-3,10-11,14H2,1H3,(H,27,32)/t21-/m1/s1.
What are the key properties of N-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]cyclopropanecarboxamide?
N-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]cyclopropanecarboxamide has a molecular weight of 449.49 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 11683809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).