4-N,8-N-bis(1H-indol-6-yl)-4-N-[6-(trifluoromethoxy)-2-pyridinyl]-1,7-naphthyridine-4,8-diamine

C30H20F3N7O — CID 155432689

IUPAC4-N,8-N-bis(1H-indol-6-yl)-4-N-[6-(trifluoromethoxy)-2-pyridinyl]-1,7-naphthyridine-4,8-diamine
SMILESFC(F)(F)Oc1cccc(N(c2ccc3cc[nH]c3c2)c2ccnc3c(Nc4ccc5cc[nH]c5c4)nccc23)n1
InChIInChI=1S/C30H20F3N7O/c31-30(32,33)41-27-3-1-2-26(39-27)40(21-7-5-19-9-13-35-24(19)17-21)25-11-15-36-28-22(25)10-14-37-29(28)38-20-6-4-18-8-12-34-23(18)16-20/h1-17,34-35H,(H,37,38)
InChIKeyLMMCKQVSMGQHQF-UHFFFAOYSA-N
MW551.53 g/mol
LogP8.10
Rot. Bonds6

About 4-N,8-N-bis(1H-indol-6-yl)-4-N-[6-(trifluoromethoxy)-2-pyridinyl]-1,7-naphthyridine-4,8-diamine

4-N,8-N-bis(1H-indol-6-yl)-4-N-[6-(trifluoromethoxy)-2-pyridinyl]-1,7-naphthyridine-4,8-diamine (PubChem CID 155432689) has the molecular formula C30H20F3N7O and a molecular weight of 551.53 g/mol. Its IUPAC name is 4-N,8-N-bis(1H-indol-6-yl)-4-N-[6-(trifluoromethoxy)-2-pyridinyl]-1,7-naphthyridine-4,8-diamine.

Molecular Properties

Compound Name4-N,8-N-bis(1H-indol-6-yl)-4-N-[6-(trifluoromethoxy)-2-pyridinyl]-1,7-naphthyridine-4,8-diamine
PubChem CID155432689
Molecular FormulaC30H20F3N7O
Molecular Weight551.53 g/mol
Exact Mass551.17
IUPAC Name4-N,8-N-bis(1H-indol-6-yl)-4-N-[6-(trifluoromethoxy)-2-pyridinyl]-1,7-naphthyridine-4,8-diamine
SMILESFC(F)(F)Oc1cccc(N(c2ccc3cc[nH]c3c2)c2ccnc3c(Nc4ccc5cc[nH]c5c4)nccc23)n1
InChIInChI=1S/C30H20F3N7O/c31-30(32,33)41-27-3-1-2-26(39-27)40(21-7-5-19-9-13-35-24(19)17-21)25-11-15-36-28-22(25)10-14-37-29(28)38-20-6-4-18-8-12-34-23(18)16-20/h1-17,34-35H,(H,37,38)
InChIKeyLMMCKQVSMGQHQF-UHFFFAOYSA-N
XLogP8.10
TPSA94.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.53
LogP ≤ 58.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N,8-N-bis(1H-indol-6-yl)-4-N-[6-(trifluoromethoxy)-2-pyridinyl]-1,7-naphthyridine-4,8-diamine?
The IUPAC name of 4-N,8-N-bis(1H-indol-6-yl)-4-N-[6-(trifluoromethoxy)-2-pyridinyl]-1,7-naphthyridine-4,8-diamine (CID 155432689) is 4-N,8-N-bis(1H-indol-6-yl)-4-N-[6-(trifluoromethoxy)-2-pyridinyl]-1,7-naphthyridine-4,8-diamine.
What is the SMILES notation for 4-N,8-N-bis(1H-indol-6-yl)-4-N-[6-(trifluoromethoxy)-2-pyridinyl]-1,7-naphthyridine-4,8-diamine?
The canonical SMILES for 4-N,8-N-bis(1H-indol-6-yl)-4-N-[6-(trifluoromethoxy)-2-pyridinyl]-1,7-naphthyridine-4,8-diamine is FC(F)(F)Oc1cccc(N(c2ccc3cc[nH]c3c2)c2ccnc3c(Nc4ccc5cc[nH]c5c4)nccc23)n1.
What is the InChIKey of 4-N,8-N-bis(1H-indol-6-yl)-4-N-[6-(trifluoromethoxy)-2-pyridinyl]-1,7-naphthyridine-4,8-diamine?
The InChIKey is LMMCKQVSMGQHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20F3N7O/c31-30(32,33)41-27-3-1-2-26(39-27)40(21-7-5-19-9-13-35-24(19)17-21)25-11-15-36-28-22(25)10-14-37-29(28)38-20-6-4-18-8-12-34-23(18)16-20/h1-17,34-35H,(H,37,38).
What are the key properties of 4-N,8-N-bis(1H-indol-6-yl)-4-N-[6-(trifluoromethoxy)-2-pyridinyl]-1,7-naphthyridine-4,8-diamine?
4-N,8-N-bis(1H-indol-6-yl)-4-N-[6-(trifluoromethoxy)-2-pyridinyl]-1,7-naphthyridine-4,8-diamine has a molecular weight of 551.53 g/mol, XLogP of 8.10, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,8-N-bis(1H-indol-6-yl)-4-N-[6-(trifluoromethoxy)-2-pyridinyl]-1,7-naphthyridine-4,8-diamine is sourced from PubChem (CID 155432689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).