N-cyclohexyl-4-[1-piperazin-1-yl-4-[4-(trifluoromethyl)phenyl]-2,6-naphthyridin-3-yl]pyridin-2-amine

C30H31F3N6 — CID 67026810

IUPACN-cyclohexyl-4-[1-piperazin-1-yl-4-[4-(trifluoromethyl)phenyl]-2,6-naphthyridin-3-yl]pyridin-2-amine
SMILESFC(F)(F)c1ccc(-c2c(-c3ccnc(NC4CCCCC4)c3)nc(N3CCNCC3)c3ccncc23)cc1
InChIInChI=1S/C30H31F3N6/c31-30(32,33)22-8-6-20(7-9-22)27-25-19-35-12-11-24(25)29(39-16-14-34-15-17-39)38-28(27)21-10-13-36-26(18-21)37-23-4-2-1-3-5-23/h6-13,18-19,23,34H,1-5,14-17H2,(H,36,37)
InChIKeyNQNPOMBSADDYGI-UHFFFAOYSA-N
MW532.61 g/mol
LogP6.53
Rot. Bonds5

About N-cyclohexyl-4-[1-piperazin-1-yl-4-[4-(trifluoromethyl)phenyl]-2,6-naphthyridin-3-yl]pyridin-2-amine

N-cyclohexyl-4-[1-piperazin-1-yl-4-[4-(trifluoromethyl)phenyl]-2,6-naphthyridin-3-yl]pyridin-2-amine (PubChem CID 67026810) has the molecular formula C30H31F3N6 and a molecular weight of 532.61 g/mol. Its IUPAC name is N-cyclohexyl-4-[1-piperazin-1-yl-4-[4-(trifluoromethyl)phenyl]-2,6-naphthyridin-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-[1-piperazin-1-yl-4-[4-(trifluoromethyl)phenyl]-2,6-naphthyridin-3-yl]pyridin-2-amine
PubChem CID67026810
Molecular FormulaC30H31F3N6
Molecular Weight532.61 g/mol
Exact Mass532.26
IUPAC NameN-cyclohexyl-4-[1-piperazin-1-yl-4-[4-(trifluoromethyl)phenyl]-2,6-naphthyridin-3-yl]pyridin-2-amine
SMILESFC(F)(F)c1ccc(-c2c(-c3ccnc(NC4CCCCC4)c3)nc(N3CCNCC3)c3ccncc23)cc1
InChIInChI=1S/C30H31F3N6/c31-30(32,33)22-8-6-20(7-9-22)27-25-19-35-12-11-24(25)29(39-16-14-34-15-17-39)38-28(27)21-10-13-36-26(18-21)37-23-4-2-1-3-5-23/h6-13,18-19,23,34H,1-5,14-17H2,(H,36,37)
InChIKeyNQNPOMBSADDYGI-UHFFFAOYSA-N
XLogP6.53
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.61
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[1-piperazin-1-yl-4-[4-(trifluoromethyl)phenyl]-2,6-naphthyridin-3-yl]pyridin-2-amine?
The IUPAC name of N-cyclohexyl-4-[1-piperazin-1-yl-4-[4-(trifluoromethyl)phenyl]-2,6-naphthyridin-3-yl]pyridin-2-amine (CID 67026810) is N-cyclohexyl-4-[1-piperazin-1-yl-4-[4-(trifluoromethyl)phenyl]-2,6-naphthyridin-3-yl]pyridin-2-amine.
What is the SMILES notation for N-cyclohexyl-4-[1-piperazin-1-yl-4-[4-(trifluoromethyl)phenyl]-2,6-naphthyridin-3-yl]pyridin-2-amine?
The canonical SMILES for N-cyclohexyl-4-[1-piperazin-1-yl-4-[4-(trifluoromethyl)phenyl]-2,6-naphthyridin-3-yl]pyridin-2-amine is FC(F)(F)c1ccc(-c2c(-c3ccnc(NC4CCCCC4)c3)nc(N3CCNCC3)c3ccncc23)cc1.
What is the InChIKey of N-cyclohexyl-4-[1-piperazin-1-yl-4-[4-(trifluoromethyl)phenyl]-2,6-naphthyridin-3-yl]pyridin-2-amine?
The InChIKey is NQNPOMBSADDYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F3N6/c31-30(32,33)22-8-6-20(7-9-22)27-25-19-35-12-11-24(25)29(39-16-14-34-15-17-39)38-28(27)21-10-13-36-26(18-21)37-23-4-2-1-3-5-23/h6-13,18-19,23,34H,1-5,14-17H2,(H,36,37).
What are the key properties of N-cyclohexyl-4-[1-piperazin-1-yl-4-[4-(trifluoromethyl)phenyl]-2,6-naphthyridin-3-yl]pyridin-2-amine?
N-cyclohexyl-4-[1-piperazin-1-yl-4-[4-(trifluoromethyl)phenyl]-2,6-naphthyridin-3-yl]pyridin-2-amine has a molecular weight of 532.61 g/mol, XLogP of 6.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[1-piperazin-1-yl-4-[4-(trifluoromethyl)phenyl]-2,6-naphthyridin-3-yl]pyridin-2-amine is sourced from PubChem (CID 67026810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).