trans-(1R,2R)-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

C25H28N4O3 — CID 129260795

IUPACtrans-(1R,2R)-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCc1cc(-c2ccnc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)c2)ccc1OC1CCOCC1
InChIInChI=1S/C25H28N4O3/c1-16-11-17(3-4-23(16)32-20-6-9-31-10-7-20)18-5-8-26-24(12-18)28-25(30)22-13-21(22)19-14-27-29(2)15-19/h3-5,8,11-12,14-15,20-22H,6-7,9-10,13H2,1-2H3,(H,26,28,30)/t21-,22+/m0/s1
InChIKeyOKROTUIHMHHHEZ-FCHUYYIVSA-N
MW432.52 g/mol
LogP4.09
Rot. Bonds6

About trans-(1R,2R)-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 129260795) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is trans-(1R,2R)-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID129260795
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Nametrans-(1R,2R)-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCc1cc(-c2ccnc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)c2)ccc1OC1CCOCC1
InChIInChI=1S/C25H28N4O3/c1-16-11-17(3-4-23(16)32-20-6-9-31-10-7-20)18-5-8-26-24(12-18)28-25(30)22-13-21(22)19-14-27-29(2)15-19/h3-5,8,11-12,14-15,20-22H,6-7,9-10,13H2,1-2H3,(H,26,28,30)/t21-,22+/m0/s1
InChIKeyOKROTUIHMHHHEZ-FCHUYYIVSA-N
XLogP4.09
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

trans-(1R,2R)-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide
CID 129260986
(2R)-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide
CID 129261095
trans-(1R,2R)-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-thiophen-2-ylcyclopropane-1-carboxamide
CID 129261146
cis-(1S,2R)-2-cyclopropyl-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 129261149
cis-(1R,2R)-2-(hydroxymethyl)-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 129260792
trans-(1R,2R)-2-[(1S)-1-hydroxyethyl]-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 129261176
(1S,5R)-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 129261096
N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-pyridin-4-ylcyclopropane-1-carboxamide
CID 129244301
trans-(1R,2R)-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 129243991
trans-(1R,2R)-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 129244011
trans-(1R,2R)-N-[4-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-2-pyridinyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 129243982
trans-(1S,2S)-N-[4-[3-cyano-4-[(4S)-3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-2-pyridinyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 129256379

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 129260795) is trans-(1R,2R)-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is Cc1cc(-c2ccnc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)c2)ccc1OC1CCOCC1.
What is the InChIKey of trans-(1R,2R)-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is OKROTUIHMHHHEZ-FCHUYYIVSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-16-11-17(3-4-23(16)32-20-6-9-31-10-7-20)18-5-8-26-24(12-18)28-25(30)22-13-21(22)19-14-27-29(2)15-19/h3-5,8,11-12,14-15,20-22H,6-7,9-10,13H2,1-2H3,(H,26,28,30)/t21-,22+/m0/s1.
What are the key properties of trans-(1R,2R)-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 129260795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).