N-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]-3-[2-[3-[(6-methoxy-3-pyridinyl)amino]-1H-pyrazol-5-yl]ethyl]benzamide

C26H26F3N7O2 — CID 10301824

IUPACN-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]-3-[2-[3-[(6-methoxy-3-pyridinyl)amino]-1H-pyrazol-5-yl]ethyl]benzamide
SMILESCOc1ccc(Nc2cc(CCc3cccc(C(=O)Nc4cnc(N(C)C)c(C(F)(F)F)c4)c3)[nH]n2)cn1
InChIInChI=1S/C26H26F3N7O2/c1-36(2)24-21(26(27,28)29)12-20(15-31-24)33-25(37)17-6-4-5-16(11-17)7-8-18-13-22(35-34-18)32-19-9-10-23(38-3)30-14-19/h4-6,9-15H,7-8H2,1-3H3,(H,33,37)(H2,32,34,35)
InChIKeyLNVPDVLUDPRWEP-UHFFFAOYSA-N
MW525.54 g/mol
LogP5.07
Rot. Bonds9

About N-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]-3-[2-[3-[(6-methoxy-3-pyridinyl)amino]-1H-pyrazol-5-yl]ethyl]benzamide

N-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]-3-[2-[3-[(6-methoxy-3-pyridinyl)amino]-1H-pyrazol-5-yl]ethyl]benzamide (PubChem CID 10301824) has the molecular formula C26H26F3N7O2 and a molecular weight of 525.54 g/mol. Its IUPAC name is N-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]-3-[2-[3-[(6-methoxy-3-pyridinyl)amino]-1H-pyrazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]-3-[2-[3-[(6-methoxy-3-pyridinyl)amino]-1H-pyrazol-5-yl]ethyl]benzamide
PubChem CID10301824
Molecular FormulaC26H26F3N7O2
Molecular Weight525.54 g/mol
Exact Mass525.21
IUPAC NameN-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]-3-[2-[3-[(6-methoxy-3-pyridinyl)amino]-1H-pyrazol-5-yl]ethyl]benzamide
SMILESCOc1ccc(Nc2cc(CCc3cccc(C(=O)Nc4cnc(N(C)C)c(C(F)(F)F)c4)c3)[nH]n2)cn1
InChIInChI=1S/C26H26F3N7O2/c1-36(2)24-21(26(27,28)29)12-20(15-31-24)33-25(37)17-6-4-5-16(11-17)7-8-18-13-22(35-34-18)32-19-9-10-23(38-3)30-14-19/h4-6,9-15H,7-8H2,1-3H3,(H,33,37)(H2,32,34,35)
InChIKeyLNVPDVLUDPRWEP-UHFFFAOYSA-N
XLogP5.07
TPSA108.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.54
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]-3-[2-[3-[(6-methoxy-3-pyridinyl)amino]-1H-pyrazol-5-yl]ethyl]benzamide?
The IUPAC name of N-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]-3-[2-[3-[(6-methoxy-3-pyridinyl)amino]-1H-pyrazol-5-yl]ethyl]benzamide (CID 10301824) is N-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]-3-[2-[3-[(6-methoxy-3-pyridinyl)amino]-1H-pyrazol-5-yl]ethyl]benzamide.
What is the SMILES notation for N-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]-3-[2-[3-[(6-methoxy-3-pyridinyl)amino]-1H-pyrazol-5-yl]ethyl]benzamide?
The canonical SMILES for N-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]-3-[2-[3-[(6-methoxy-3-pyridinyl)amino]-1H-pyrazol-5-yl]ethyl]benzamide is COc1ccc(Nc2cc(CCc3cccc(C(=O)Nc4cnc(N(C)C)c(C(F)(F)F)c4)c3)[nH]n2)cn1.
What is the InChIKey of N-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]-3-[2-[3-[(6-methoxy-3-pyridinyl)amino]-1H-pyrazol-5-yl]ethyl]benzamide?
The InChIKey is LNVPDVLUDPRWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N7O2/c1-36(2)24-21(26(27,28)29)12-20(15-31-24)33-25(37)17-6-4-5-16(11-17)7-8-18-13-22(35-34-18)32-19-9-10-23(38-3)30-14-19/h4-6,9-15H,7-8H2,1-3H3,(H,33,37)(H2,32,34,35).
What are the key properties of N-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]-3-[2-[3-[(6-methoxy-3-pyridinyl)amino]-1H-pyrazol-5-yl]ethyl]benzamide?
N-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]-3-[2-[3-[(6-methoxy-3-pyridinyl)amino]-1H-pyrazol-5-yl]ethyl]benzamide has a molecular weight of 525.54 g/mol, XLogP of 5.07, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]-3-[2-[3-[(6-methoxy-3-pyridinyl)amino]-1H-pyrazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 10301824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).