N-[5-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-13-yl]ethyl]-3-pyridinyl]acetamide

C26H23ClF3N7O2 — CID 174189865

IUPACN-[5-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-13-yl]ethyl]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cncc(C(C)N2C=COc3cc(-c4nc(N)cc(C)c4C(F)(F)F)c(Cl)c4c3C2=NCN4)c1
InChIInChI=1S/C26H23ClF3N7O2/c1-12-6-19(31)36-23(21(12)26(28,29)30)17-8-18-20-24(22(17)27)33-11-34-25(20)37(4-5-39-18)13(2)15-7-16(10-32-9-15)35-14(3)38/h4-10,13,33H,11H2,1-3H3,(H2,31,36)(H,35,38)
InChIKeySNMQROQHCLSULV-UHFFFAOYSA-N
MW557.96 g/mol
LogP5.72
Rot. Bonds4

About N-[5-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-13-yl]ethyl]-3-pyridinyl]acetamide

N-[5-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-13-yl]ethyl]-3-pyridinyl]acetamide (PubChem CID 174189865) has the molecular formula C26H23ClF3N7O2 and a molecular weight of 557.96 g/mol. Its IUPAC name is N-[5-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-13-yl]ethyl]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-13-yl]ethyl]-3-pyridinyl]acetamide
PubChem CID174189865
Molecular FormulaC26H23ClF3N7O2
Molecular Weight557.96 g/mol
Exact Mass557.16
IUPAC NameN-[5-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-13-yl]ethyl]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cncc(C(C)N2C=COc3cc(-c4nc(N)cc(C)c4C(F)(F)F)c(Cl)c4c3C2=NCN4)c1
InChIInChI=1S/C26H23ClF3N7O2/c1-12-6-19(31)36-23(21(12)26(28,29)30)17-8-18-20-24(22(17)27)33-11-34-25(20)37(4-5-39-18)13(2)15-7-16(10-32-9-15)35-14(3)38/h4-10,13,33H,11H2,1-3H3,(H2,31,36)(H,35,38)
InChIKeySNMQROQHCLSULV-UHFFFAOYSA-N
XLogP5.72
TPSA117.76 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.96
LogP ≤ 55.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[5-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-13-yl]ethyl]-3-pyridinyl]acetamide with MolForge

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Related Compounds

1-[2-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-13-yl]ethyl]pyridin-2-one
CID 174189646
6-(6-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 174189629
[3-[1-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-11-methoxy-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-13-yl]ethyl]-2-pyridinyl]carbamic acid
CID 174189804
[3-[1-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-11-(2-oxabicyclo[2.1.1]hexan-1-ylmethoxy)-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-13-yl]ethyl]-2-pyridinyl]carbamic acid
CID 174189838
13-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-12-chloro-1'-(5-oxo-1H-1,2,4-triazole-4-carbonyl)spiro[6,10-dioxa-3,17-diazatetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),12,14(19),15,17-pentaene-5,3'-pyrrolidine]-2-one
CID 176946822
N-(5-amino-3-pyridinyl)acetamide
CID 69179532
1-[4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoroquinazolin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one
CID 146624853
3-[[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-13-[(1R)-1-(2-amino-3-pyridinyl)ethyl]-8-chloro-6-fluoro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-3-yl]oxymethyl]cyclobutan-1-ol
CID 172513060
N-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 162746788
6-[13-[(1R)-1-(2-amino-3-pyridinyl)ethyl]-8-chloro-6-fluoro-3-(2-methoxy-2-methylpropoxy)-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 172513102
N-[5-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-3-pyridinyl]-2-chloro-3-methylbenzamide
CID 166039783
N-[5-[2-amino-7-(1-hydroxypropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 90683734

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-13-yl]ethyl]-3-pyridinyl]acetamide?
The IUPAC name of N-[5-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-13-yl]ethyl]-3-pyridinyl]acetamide (CID 174189865) is N-[5-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-13-yl]ethyl]-3-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-13-yl]ethyl]-3-pyridinyl]acetamide?
The canonical SMILES for N-[5-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-13-yl]ethyl]-3-pyridinyl]acetamide is CC(=O)Nc1cncc(C(C)N2C=COc3cc(-c4nc(N)cc(C)c4C(F)(F)F)c(Cl)c4c3C2=NCN4)c1.
What is the InChIKey of N-[5-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-13-yl]ethyl]-3-pyridinyl]acetamide?
The InChIKey is SNMQROQHCLSULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClF3N7O2/c1-12-6-19(31)36-23(21(12)26(28,29)30)17-8-18-20-24(22(17)27)33-11-34-25(20)37(4-5-39-18)13(2)15-7-16(10-32-9-15)35-14(3)38/h4-10,13,33H,11H2,1-3H3,(H2,31,36)(H,35,38).
What are the key properties of N-[5-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-13-yl]ethyl]-3-pyridinyl]acetamide?
N-[5-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-13-yl]ethyl]-3-pyridinyl]acetamide has a molecular weight of 557.96 g/mol, XLogP of 5.72, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-13-yl]ethyl]-3-pyridinyl]acetamide is sourced from PubChem (CID 174189865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).