7-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-4-amine

C25H21ClF3N7O — CID 165405620

IUPAC7-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-4-amine
SMILESCc1cc(N)nc(-c2cc3ncnc4c3c(c2Cl)OCCN4C2CCc3c(N)cncc32)c1C(F)(F)F
InChIInChI=1S/C25H21ClF3N7O/c1-11-6-18(31)35-22(20(11)25(27,28)29)13-7-16-19-23(21(13)26)37-5-4-36(24(19)34-10-33-16)17-3-2-12-14(17)8-32-9-15(12)30/h6-10,17H,2-5,30H2,1H3,(H2,31,35)
InChIKeyMIVMLPTVYPEVCP-UHFFFAOYSA-N
MW527.94 g/mol
LogP5.12
Rot. Bonds2

About 7-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-4-amine

7-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-4-amine (PubChem CID 165405620) has the molecular formula C25H21ClF3N7O and a molecular weight of 527.94 g/mol. Its IUPAC name is 7-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-4-amine.

Molecular Properties

Compound Name7-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-4-amine
PubChem CID165405620
Molecular FormulaC25H21ClF3N7O
Molecular Weight527.94 g/mol
Exact Mass527.14
IUPAC Name7-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-4-amine
SMILESCc1cc(N)nc(-c2cc3ncnc4c3c(c2Cl)OCCN4C2CCc3c(N)cncc32)c1C(F)(F)F
InChIInChI=1S/C25H21ClF3N7O/c1-11-6-18(31)35-22(20(11)25(27,28)29)13-7-16-19-23(21(13)26)37-5-4-36(24(19)34-10-33-16)17-3-2-12-14(17)8-32-9-15(12)30/h6-10,17H,2-5,30H2,1H3,(H2,31,35)
InChIKeyMIVMLPTVYPEVCP-UHFFFAOYSA-N
XLogP5.12
TPSA116.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.94
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-4-amine?
The IUPAC name of 7-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-4-amine (CID 165405620) is 7-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-4-amine.
What is the SMILES notation for 7-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-4-amine?
The canonical SMILES for 7-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-4-amine is Cc1cc(N)nc(-c2cc3ncnc4c3c(c2Cl)OCCN4C2CCc3c(N)cncc32)c1C(F)(F)F.
What is the InChIKey of 7-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-4-amine?
The InChIKey is MIVMLPTVYPEVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF3N7O/c1-11-6-18(31)35-22(20(11)25(27,28)29)13-7-16-19-23(21(13)26)37-5-4-36(24(19)34-10-33-16)17-3-2-12-14(17)8-32-9-15(12)30/h6-10,17H,2-5,30H2,1H3,(H2,31,35).
What are the key properties of 7-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-4-amine?
7-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-4-amine has a molecular weight of 527.94 g/mol, XLogP of 5.12, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-4-amine is sourced from PubChem (CID 165405620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).