cis-(1R,2R)-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-[(dimethylamino)methyl]cyclopropane-1-carboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(2-methyl-4H-imidazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-1-hydroxycyclopropane-1-carboxamide

C72H74F2N12O10 — CID 158503601

IUPACcis-(1R,2R)-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-[(dimethylamino)methyl]cyclopropane-1-carboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(2-methyl-4H-imidazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-1-hydroxycyclopropane-1-carboxamide
SMILESCC1=NCC(C(=O)N2CC[C@H](Oc3ccc(-c4cc(NC(=O)C5CC5)ccn4)cc3C#N)C(F)(F)C2)=N1.CN(C)C[C@@H]1C[C@H]1C(=O)Nc1cc(-c2ccc(OC3CCOCC3)c(C#N)c2)ccn1.N#Cc1cc(-c2cccc(NC(=O)C3(O)CC3)c2)ccc1OC1CCOCC1
InChIInChI=1S/C26H24F2N6O3.C24H28N4O3.C22H22N2O4/c1-15-31-13-21(32-15)25(36)34-9-7-23(26(27,28)14-34)37-22-5-4-17(10-18(22)12-29)20-11-19(6-8-30-20)33-24(35)16-2-3-16;1-28(2)15-19-12-21(19)24(29)27-23-13-17(5-8-26-23)16-3-4-22(18(11-16)14-25)31-20-6-9-30-10-7-20;23-14-17-12-16(4-5-20(17)28-19-6-10-27-11-7-19)15-2-1-3-18(13-15)24-21(25)22(26)8-9-22/h4-6,8,10-11,16,23H,2-3,7,9,13-14H2,1H3,(H,30,33,35);3-5,8,11,13,19-21H,6-7,9-10,12,15H2,1-2H3,(H,26,27,29);1-5,12-13,19,26H,6-11H2,(H,24,25)/t23-;19-,21+;/m00./s1
InChIKeyHKEXBRIPBXEPBN-WRUAEZDKSA-N
MW1305.45 g/mol
LogP10.02
Rot. Bonds18

About cis-(1R,2R)-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-[(dimethylamino)methyl]cyclopropane-1-carboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(2-methyl-4H-imidazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-1-hydroxycyclopropane-1-carboxamide

cis-(1R,2R)-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-[(dimethylamino)methyl]cyclopropane-1-carboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(2-methyl-4H-imidazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-1-hydroxycyclopropane-1-carboxamide (PubChem CID 158503601) has the molecular formula C72H74F2N12O10 and a molecular weight of 1305.45 g/mol. Its IUPAC name is cis-(1R,2R)-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-[(dimethylamino)methyl]cyclopropane-1-carboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(2-methyl-4H-imidazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-1-hydroxycyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2R)-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-[(dimethylamino)methyl]cyclopropane-1-carboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(2-methyl-4H-imidazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-1-hydroxycyclopropane-1-carboxamide
PubChem CID158503601
Molecular FormulaC72H74F2N12O10
Molecular Weight1305.45 g/mol
Exact Mass1304.56
IUPAC Namecis-(1R,2R)-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-[(dimethylamino)methyl]cyclopropane-1-carboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(2-methyl-4H-imidazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-1-hydroxycyclopropane-1-carboxamide
SMILESCC1=NCC(C(=O)N2CC[C@H](Oc3ccc(-c4cc(NC(=O)C5CC5)ccn4)cc3C#N)C(F)(F)C2)=N1.CN(C)C[C@@H]1C[C@H]1C(=O)Nc1cc(-c2ccc(OC3CCOCC3)c(C#N)c2)ccn1.N#Cc1cc(-c2cccc(NC(=O)C3(O)CC3)c2)ccc1OC1CCOCC1
InChIInChI=1S/C26H24F2N6O3.C24H28N4O3.C22H22N2O4/c1-15-31-13-21(32-15)25(36)34-9-7-23(26(27,28)14-34)37-22-5-4-17(10-18(22)12-29)20-11-19(6-8-30-20)33-24(35)16-2-3-16;1-28(2)15-19-12-21(19)24(29)27-23-13-17(5-8-26-23)16-3-4-22(18(11-16)14-25)31-20-6-9-30-10-7-20;23-14-17-12-16(4-5-20(17)28-19-6-10-27-11-7-19)15-2-1-3-18(13-15)24-21(25)22(26)8-9-22/h4-6,8,10-11,16,23H,2-3,7,9,13-14H2,1H3,(H,30,33,35);3-5,8,11,13,19-21H,6-7,9-10,12,15H2,1-2H3,(H,26,27,29);1-5,12-13,19,26H,6-11H2,(H,24,25)/t23-;19-,21+;/m00./s1
InChIKeyHKEXBRIPBXEPBN-WRUAEZDKSA-N
XLogP10.02
TPSA299.10 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001305.45
LogP ≤ 510.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze cis-(1R,2R)-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-[(dimethylamino)methyl]cyclopropane-1-carboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(2-methyl-4H-imidazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-1-hydroxycyclopropane-1-carboxamide with MolForge

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Related Compounds

US11440899, Example 84
CID 138571328
US11440899, Example 97
CID 138571429
US11440899, Example 93
CID 142562138
US11440899, Example 94
CID 142562160
2-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxy-5-[6-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]pyrimidin-4-yl]benzonitrile
CID 121247153
2-[(3R,4S)-3-fluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]oxy-5-[4-[3-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-2-yl]benzonitrile
CID 121262271
(1R,2R)-N-[4-[3-cyano-4-[(4S)-3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]pyridin-2-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 129243994
(4S)-4-[2-cyano-4-[6-[[(1R,2R)-2-(6-methoxy-3-pyridinyl)cyclopropanecarbonyl]amino]pyrimidin-4-yl]phenoxy]-3,3-difluoropiperidine-1-carboxylic acid
CID 129244033
4-[2-cyano-4-[6-[[(1R,2R)-2-(6-methoxy-3-pyridinyl)cyclopropanecarbonyl]amino]pyrimidin-4-yl]phenoxy]-3,3-difluoropiperidine-1-carboxylic acid
CID 129244035
tert-butyl (4S)-4-[2-cyano-4-[2-[[(1R,2R)-2-(6-cyclopropylpyridin-3-yl)cyclopropanecarbonyl]amino]pyridin-4-yl]phenoxy]-3,3-difluoropiperidine-1-carboxylate
CID 129244050
2-tert-butyl-4-[2-cyano-4-[2-[[(1R,2R)-2-(6-cyclopropyl-3-pyridinyl)cyclopropanecarbonyl]amino]-4-pyridinyl]phenoxy]-3,3-difluoropiperidine-1-carboxylic acid
CID 129244052
(1R,2R)-N-[4-[3-cyano-4-[(4S)-3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]pyridin-2-yl]-2-(6-cyclopropylpyridin-3-yl)cyclopropane-1-carboxamide
CID 129244117

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-[(dimethylamino)methyl]cyclopropane-1-carboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(2-methyl-4H-imidazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-1-hydroxycyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2R)-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-[(dimethylamino)methyl]cyclopropane-1-carboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(2-methyl-4H-imidazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-1-hydroxycyclopropane-1-carboxamide (CID 158503601) is cis-(1R,2R)-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-[(dimethylamino)methyl]cyclopropane-1-carboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(2-methyl-4H-imidazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-1-hydroxycyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2R)-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-[(dimethylamino)methyl]cyclopropane-1-carboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(2-methyl-4H-imidazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-1-hydroxycyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2R)-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-[(dimethylamino)methyl]cyclopropane-1-carboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(2-methyl-4H-imidazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-1-hydroxycyclopropane-1-carboxamide is CC1=NCC(C(=O)N2CC[C@H](Oc3ccc(-c4cc(NC(=O)C5CC5)ccn4)cc3C#N)C(F)(F)C2)=N1.CN(C)C[C@@H]1C[C@H]1C(=O)Nc1cc(-c2ccc(OC3CCOCC3)c(C#N)c2)ccn1.N#Cc1cc(-c2cccc(NC(=O)C3(O)CC3)c2)ccc1OC1CCOCC1.
What is the InChIKey of cis-(1R,2R)-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-[(dimethylamino)methyl]cyclopropane-1-carboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(2-methyl-4H-imidazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-1-hydroxycyclopropane-1-carboxamide?
The InChIKey is HKEXBRIPBXEPBN-WRUAEZDKSA-N. The full InChI is InChI=1S/C26H24F2N6O3.C24H28N4O3.C22H22N2O4/c1-15-31-13-21(32-15)25(36)34-9-7-23(26(27,28)14-34)37-22-5-4-17(10-18(22)12-29)20-11-19(6-8-30-20)33-24(35)16-2-3-16;1-28(2)15-19-12-21(19)24(29)27-23-13-17(5-8-26-23)16-3-4-22(18(11-16)14-25)31-20-6-9-30-10-7-20;23-14-17-12-16(4-5-20(17)28-19-6-10-27-11-7-19)15-2-1-3-18(13-15)24-21(25)22(26)8-9-22/h4-6,8,10-11,16,23H,2-3,7,9,13-14H2,1H3,(H,30,33,35);3-5,8,11,13,19-21H,6-7,9-10,12,15H2,1-2H3,(H,26,27,29);1-5,12-13,19,26H,6-11H2,(H,24,25)/t23-;19-,21+;/m00./s1.
What are the key properties of cis-(1R,2R)-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-[(dimethylamino)methyl]cyclopropane-1-carboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(2-methyl-4H-imidazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-1-hydroxycyclopropane-1-carboxamide?
cis-(1R,2R)-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-[(dimethylamino)methyl]cyclopropane-1-carboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(2-methyl-4H-imidazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-1-hydroxycyclopropane-1-carboxamide has a molecular weight of 1305.45 g/mol, XLogP of 10.02, 18 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-[(dimethylamino)methyl]cyclopropane-1-carboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(2-methyl-4H-imidazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-1-hydroxycyclopropane-1-carboxamide is sourced from PubChem (CID 158503601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).