cis-(1R,2S)-2-(3-fluoro-5-methoxyphenyl)-N-(5-fluoro-2-pyridinyl)-2-[4-(methoxymethyl)-2-methylpyrimidine-5-carbonyl]cyclopropane-1-carboxamide

C24H22F2N4O4 — CID 56945007

IUPACcis-(1R,2S)-2-(3-fluoro-5-methoxyphenyl)-N-(5-fluoro-2-pyridinyl)-2-[4-(methoxymethyl)-2-methylpyrimidine-5-carbonyl]cyclopropane-1-carboxamide
SMILESCOCc1nc(C)ncc1C(=O)[C@@]1(c2cc(F)cc(OC)c2)C[C@H]1C(=O)Nc1ccc(F)cn1
InChIInChI=1S/C24H22F2N4O4/c1-13-27-11-18(20(29-13)12-33-2)22(31)24(14-6-16(26)8-17(7-14)34-3)9-19(24)23(32)30-21-5-4-15(25)10-28-21/h4-8,10-11,19H,9,12H2,1-3H3,(H,28,30,32)/t19-,24+/m0/s1
InChIKeyVTAFTFKZAOEZDW-YADARESESA-N
MW468.46 g/mol
LogP3.39
Rot. Bonds8

About cis-(1R,2S)-2-(3-fluoro-5-methoxyphenyl)-N-(5-fluoro-2-pyridinyl)-2-[4-(methoxymethyl)-2-methylpyrimidine-5-carbonyl]cyclopropane-1-carboxamide

cis-(1R,2S)-2-(3-fluoro-5-methoxyphenyl)-N-(5-fluoro-2-pyridinyl)-2-[4-(methoxymethyl)-2-methylpyrimidine-5-carbonyl]cyclopropane-1-carboxamide (PubChem CID 56945007) has the molecular formula C24H22F2N4O4 and a molecular weight of 468.46 g/mol. Its IUPAC name is cis-(1R,2S)-2-(3-fluoro-5-methoxyphenyl)-N-(5-fluoro-2-pyridinyl)-2-[4-(methoxymethyl)-2-methylpyrimidine-5-carbonyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-(3-fluoro-5-methoxyphenyl)-N-(5-fluoro-2-pyridinyl)-2-[4-(methoxymethyl)-2-methylpyrimidine-5-carbonyl]cyclopropane-1-carboxamide
PubChem CID56945007
Molecular FormulaC24H22F2N4O4
Molecular Weight468.46 g/mol
Exact Mass468.16
IUPAC Namecis-(1R,2S)-2-(3-fluoro-5-methoxyphenyl)-N-(5-fluoro-2-pyridinyl)-2-[4-(methoxymethyl)-2-methylpyrimidine-5-carbonyl]cyclopropane-1-carboxamide
SMILESCOCc1nc(C)ncc1C(=O)[C@@]1(c2cc(F)cc(OC)c2)C[C@H]1C(=O)Nc1ccc(F)cn1
InChIInChI=1S/C24H22F2N4O4/c1-13-27-11-18(20(29-13)12-33-2)22(31)24(14-6-16(26)8-17(7-14)34-3)9-19(24)23(32)30-21-5-4-15(25)10-28-21/h4-8,10-11,19H,9,12H2,1-3H3,(H,28,30,32)/t19-,24+/m0/s1
InChIKeyVTAFTFKZAOEZDW-YADARESESA-N
XLogP3.39
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.46
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

cis-(1R,2S)-2-(3-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-2-[[4-(hydroxymethyl)-2-methylpyrimidin-5-yl]oxymethyl]cyclopropane-1-carboxamide
CID 56943658
cis-(1S,2R)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-(3-fluorophenyl)-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide
CID 124652776
2-(3,4-dimethoxyphenyl)-2-[(4-fluorophenoxy)methyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide
CID 57388342
trans-(1R,2R)-2-(5-fluorocyclohexa-2,4-dien-1-yl)-2-[[4-(fluoromethyl)-2-methylpyrimidin-5-yl]oxymethyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide
CID 67475264
2-(2,5-difluorophenyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide
CID 67282691
2-(3-chlorophenyl)-N-(4-fluorophenyl)-2-[[4-(methoxymethyl)-2-methylpyrimidin-5-yl]oxymethyl]cyclopropane-1-carboxamide
CID 67474012
cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(5-fluoro-2-pyridinyl)-2-(2,3,4,6-tetradeuterio-5-fluorophenyl)cyclopropane-1-carboxamide
CID 172990546
cis-(1R,2S)-N-(5-cyano-2-pyridinyl)-2-(3,5-difluorophenyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]cyclopropane-1-carboxamide
CID 56944431
cis-(1R,2S)-2-(3-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide
CID 162477281
N-[1-[(2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-(3-fluorophenyl)cyclopropyl]ethenyl]-5-fluoropyridin-2-amine
CID 170239342
trans-(1R,2R)-2-cyclohexa-2,4-dien-1-yl-N-(2,4-difluorophenyl)-2-[[4-(methoxymethyl)-2-methylpyrimidin-5-yl]oxymethyl]cyclopropane-1-carboxamide
CID 67475309
cis-(1R,2S)-N-(4-chloro-2-pyridinyl)-2-[[4-(methoxymethyl)-2-methylpyrimidin-5-yl]oxymethyl]-2-phenylcyclopropane-1-carboxamide
CID 67473969

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(3-fluoro-5-methoxyphenyl)-N-(5-fluoro-2-pyridinyl)-2-[4-(methoxymethyl)-2-methylpyrimidine-5-carbonyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-(3-fluoro-5-methoxyphenyl)-N-(5-fluoro-2-pyridinyl)-2-[4-(methoxymethyl)-2-methylpyrimidine-5-carbonyl]cyclopropane-1-carboxamide (CID 56945007) is cis-(1R,2S)-2-(3-fluoro-5-methoxyphenyl)-N-(5-fluoro-2-pyridinyl)-2-[4-(methoxymethyl)-2-methylpyrimidine-5-carbonyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-(3-fluoro-5-methoxyphenyl)-N-(5-fluoro-2-pyridinyl)-2-[4-(methoxymethyl)-2-methylpyrimidine-5-carbonyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-(3-fluoro-5-methoxyphenyl)-N-(5-fluoro-2-pyridinyl)-2-[4-(methoxymethyl)-2-methylpyrimidine-5-carbonyl]cyclopropane-1-carboxamide is COCc1nc(C)ncc1C(=O)[C@@]1(c2cc(F)cc(OC)c2)C[C@H]1C(=O)Nc1ccc(F)cn1.
What is the InChIKey of cis-(1R,2S)-2-(3-fluoro-5-methoxyphenyl)-N-(5-fluoro-2-pyridinyl)-2-[4-(methoxymethyl)-2-methylpyrimidine-5-carbonyl]cyclopropane-1-carboxamide?
The InChIKey is VTAFTFKZAOEZDW-YADARESESA-N. The full InChI is InChI=1S/C24H22F2N4O4/c1-13-27-11-18(20(29-13)12-33-2)22(31)24(14-6-16(26)8-17(7-14)34-3)9-19(24)23(32)30-21-5-4-15(25)10-28-21/h4-8,10-11,19H,9,12H2,1-3H3,(H,28,30,32)/t19-,24+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(3-fluoro-5-methoxyphenyl)-N-(5-fluoro-2-pyridinyl)-2-[4-(methoxymethyl)-2-methylpyrimidine-5-carbonyl]cyclopropane-1-carboxamide?
cis-(1R,2S)-2-(3-fluoro-5-methoxyphenyl)-N-(5-fluoro-2-pyridinyl)-2-[4-(methoxymethyl)-2-methylpyrimidine-5-carbonyl]cyclopropane-1-carboxamide has a molecular weight of 468.46 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(3-fluoro-5-methoxyphenyl)-N-(5-fluoro-2-pyridinyl)-2-[4-(methoxymethyl)-2-methylpyrimidine-5-carbonyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 56945007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).