N-[(3,5-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-5-amine;N-[(3,5-difluorophenyl)methyl]-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-isoindol-5-amine;N-[(3,5-difluorophenyl)methyl]-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-5-amine

C76H69F6N11O2 — CID 167643272

IUPACN-[(3,5-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-5-amine;N-[(3,5-difluorophenyl)methyl]-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-isoindol-5-amine;N-[(3,5-difluorophenyl)methyl]-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-5-amine
SMILESCN(Cc1cc(F)cc(F)c1)c1ccc2c(c1)C(/C=C/c1ccccn1)=NC2.CN(Cc1cc(F)cc(F)c1)c1ccc2c(c1)c(/C=C/c1ccccn1)nn2C1CCCCO1.Fc1cc(F)cc(CNc2ccc3c(c2)c(/C=C/c2ccccn2)nn3C2CCCCO2)c1
InChIInChI=1S/C27H26F2N4O.C26H24F2N4O.C23H19F2N3/c1-32(18-19-14-20(28)16-21(29)15-19)23-9-11-26-24(17-23)25(10-8-22-6-2-4-12-30-22)31-33(26)27-7-3-5-13-34-27;27-19-13-18(14-20(28)15-19)17-30-22-8-10-25-23(16-22)24(9-7-21-5-1-3-11-29-21)31-32(25)26-6-2-4-12-33-26;1-28(15-16-10-18(24)12-19(25)11-16)21-7-5-17-14-27-23(22(17)13-21)8-6-20-4-2-3-9-26-20/h2,4,6,8-12,14-17,27H,3,5,7,13,18H2,1H3;1,3,5,7-11,13-16,26,30H,2,4,6,12,17H2;2-13H,14-15H2,1H3/b10-8+;9-7+;8-6+
InChIKeyPMBSVROZOJIRLS-KOWCMILESA-N
MW1282.45 g/mol
LogP17.42
Rot. Bonds17

About N-[(3,5-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-5-amine;N-[(3,5-difluorophenyl)methyl]-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-isoindol-5-amine;N-[(3,5-difluorophenyl)methyl]-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-5-amine

N-[(3,5-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-5-amine;N-[(3,5-difluorophenyl)methyl]-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-isoindol-5-amine;N-[(3,5-difluorophenyl)methyl]-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-5-amine (PubChem CID 167643272) has the molecular formula C76H69F6N11O2 and a molecular weight of 1282.45 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-5-amine;N-[(3,5-difluorophenyl)methyl]-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-isoindol-5-amine;N-[(3,5-difluorophenyl)methyl]-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-5-amine.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-5-amine;N-[(3,5-difluorophenyl)methyl]-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-isoindol-5-amine;N-[(3,5-difluorophenyl)methyl]-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-5-amine
PubChem CID167643272
Molecular FormulaC76H69F6N11O2
Molecular Weight1282.45 g/mol
Exact Mass1281.55
IUPAC NameN-[(3,5-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-5-amine;N-[(3,5-difluorophenyl)methyl]-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-isoindol-5-amine;N-[(3,5-difluorophenyl)methyl]-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-5-amine
SMILESCN(Cc1cc(F)cc(F)c1)c1ccc2c(c1)C(/C=C/c1ccccn1)=NC2.CN(Cc1cc(F)cc(F)c1)c1ccc2c(c1)c(/C=C/c1ccccn1)nn2C1CCCCO1.Fc1cc(F)cc(CNc2ccc3c(c2)c(/C=C/c2ccccn2)nn3C2CCCCO2)c1
InChIInChI=1S/C27H26F2N4O.C26H24F2N4O.C23H19F2N3/c1-32(18-19-14-20(28)16-21(29)15-19)23-9-11-26-24(17-23)25(10-8-22-6-2-4-12-30-22)31-33(26)27-7-3-5-13-34-27;27-19-13-18(14-20(28)15-19)17-30-22-8-10-25-23(16-22)24(9-7-21-5-1-3-11-29-21)31-32(25)26-6-2-4-12-33-26;1-28(15-16-10-18(24)12-19(25)11-16)21-7-5-17-14-27-23(22(17)13-21)8-6-20-4-2-3-9-26-20/h2,4,6,8-12,14-17,27H,3,5,7,13,18H2,1H3;1,3,5,7-11,13-16,26,30H,2,4,6,12,17H2;2-13H,14-15H2,1H3/b10-8+;9-7+;8-6+
InChIKeyPMBSVROZOJIRLS-KOWCMILESA-N
XLogP17.42
TPSA123.64 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds17
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001282.45
LogP ≤ 517.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze N-[(3,5-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-5-amine;N-[(3,5-difluorophenyl)methyl]-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-isoindol-5-amine;N-[(3,5-difluorophenyl)methyl]-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-5-amine with MolForge

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-5-amine
CID 156734044
N-[(3,5-difluorophenyl)methyl]-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-5-amine
CID 156734045
7-[4-[5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]triazol-1-yl]-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 170648902
7-[4-[5-(2-Fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]triazol-1-yl]-1,2,3,4-tetrahydroisoquinoline
CID 170648910
6-[4-[5-(2-Fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]triazol-1-yl]-1,2,3,4-tetrahydroisoquinoline
CID 170648943
7-[4-[5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]triazol-1-yl]-N-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 170648955
7-[4-[5-(2,6-Difluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]triazol-1-yl]-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 170648979
2-benzyl-7-[4-[5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]triazol-1-yl]-3,4-dihydro-1H-isoquinoline
CID 170649024
7-[4-[5-(2-Fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]triazol-1-yl]-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 170649073
7-[4-[5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]triazol-1-yl]-N-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 170649082
N-cyclopentyl-7-[4-[5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]triazol-1-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 170649127
N-[(3,5-difluorophenyl)methyl]-1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazol-5-amine
CID 175202533

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-5-amine;N-[(3,5-difluorophenyl)methyl]-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-isoindol-5-amine;N-[(3,5-difluorophenyl)methyl]-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-5-amine?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-5-amine;N-[(3,5-difluorophenyl)methyl]-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-isoindol-5-amine;N-[(3,5-difluorophenyl)methyl]-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-5-amine (CID 167643272) is N-[(3,5-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-5-amine;N-[(3,5-difluorophenyl)methyl]-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-isoindol-5-amine;N-[(3,5-difluorophenyl)methyl]-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-5-amine.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-5-amine;N-[(3,5-difluorophenyl)methyl]-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-isoindol-5-amine;N-[(3,5-difluorophenyl)methyl]-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-5-amine?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-5-amine;N-[(3,5-difluorophenyl)methyl]-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-isoindol-5-amine;N-[(3,5-difluorophenyl)methyl]-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-5-amine is CN(Cc1cc(F)cc(F)c1)c1ccc2c(c1)C(/C=C/c1ccccn1)=NC2.CN(Cc1cc(F)cc(F)c1)c1ccc2c(c1)c(/C=C/c1ccccn1)nn2C1CCCCO1.Fc1cc(F)cc(CNc2ccc3c(c2)c(/C=C/c2ccccn2)nn3C2CCCCO2)c1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-5-amine;N-[(3,5-difluorophenyl)methyl]-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-isoindol-5-amine;N-[(3,5-difluorophenyl)methyl]-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-5-amine?
The InChIKey is PMBSVROZOJIRLS-KOWCMILESA-N. The full InChI is InChI=1S/C27H26F2N4O.C26H24F2N4O.C23H19F2N3/c1-32(18-19-14-20(28)16-21(29)15-19)23-9-11-26-24(17-23)25(10-8-22-6-2-4-12-30-22)31-33(26)27-7-3-5-13-34-27;27-19-13-18(14-20(28)15-19)17-30-22-8-10-25-23(16-22)24(9-7-21-5-1-3-11-29-21)31-32(25)26-6-2-4-12-33-26;1-28(15-16-10-18(24)12-19(25)11-16)21-7-5-17-14-27-23(22(17)13-21)8-6-20-4-2-3-9-26-20/h2,4,6,8-12,14-17,27H,3,5,7,13,18H2,1H3;1,3,5,7-11,13-16,26,30H,2,4,6,12,17H2;2-13H,14-15H2,1H3/b10-8+;9-7+;8-6+.
What are the key properties of N-[(3,5-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-5-amine;N-[(3,5-difluorophenyl)methyl]-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-isoindol-5-amine;N-[(3,5-difluorophenyl)methyl]-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-5-amine?
N-[(3,5-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-5-amine;N-[(3,5-difluorophenyl)methyl]-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-isoindol-5-amine;N-[(3,5-difluorophenyl)methyl]-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-5-amine has a molecular weight of 1282.45 g/mol, XLogP of 17.42, 17 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-5-amine;N-[(3,5-difluorophenyl)methyl]-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-isoindol-5-amine;N-[(3,5-difluorophenyl)methyl]-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-5-amine is sourced from PubChem (CID 167643272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).