6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-piperazin-1-yl-7,8-dihydro-5H-1,6-naphthyridine

C24H27ClN6 — CID 77106811

IUPAC6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-piperazin-1-yl-7,8-dihydro-5H-1,6-naphthyridine
SMILESCc1cnc(-c2cc(N3CCc4nc(N5CCNCC5)ccc4C3)ncc2Cl)c(C)c1
InChIInChI=1S/C24H27ClN6/c1-16-11-17(2)24(28-13-16)19-12-23(27-14-20(19)25)31-8-5-21-18(15-31)3-4-22(29-21)30-9-6-26-7-10-30/h3-4,11-14,26H,5-10,15H2,1-2H3
InChIKeyZWDVRUVIXZZVQT-UHFFFAOYSA-N
MW434.98 g/mol
LogP3.78
Rot. Bonds3

About 6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-piperazin-1-yl-7,8-dihydro-5H-1,6-naphthyridine

6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-piperazin-1-yl-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 77106811) has the molecular formula C24H27ClN6 and a molecular weight of 434.98 g/mol. Its IUPAC name is 6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-piperazin-1-yl-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-piperazin-1-yl-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID77106811
Molecular FormulaC24H27ClN6
Molecular Weight434.98 g/mol
Exact Mass434.20
IUPAC Name6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-piperazin-1-yl-7,8-dihydro-5H-1,6-naphthyridine
SMILESCc1cnc(-c2cc(N3CCc4nc(N5CCNCC5)ccc4C3)ncc2Cl)c(C)c1
InChIInChI=1S/C24H27ClN6/c1-16-11-17(2)24(28-13-16)19-12-23(27-14-20(19)25)31-8-5-21-18(15-31)3-4-22(29-21)30-9-6-26-7-10-30/h3-4,11-14,26H,5-10,15H2,1-2H3
InChIKeyZWDVRUVIXZZVQT-UHFFFAOYSA-N
XLogP3.78
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.98
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-piperazin-1-yl-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-piperazin-1-yl-7,8-dihydro-5H-1,6-naphthyridine (CID 77106811) is 6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-piperazin-1-yl-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-piperazin-1-yl-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-piperazin-1-yl-7,8-dihydro-5H-1,6-naphthyridine is Cc1cnc(-c2cc(N3CCc4nc(N5CCNCC5)ccc4C3)ncc2Cl)c(C)c1.
What is the InChIKey of 6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-piperazin-1-yl-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is ZWDVRUVIXZZVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN6/c1-16-11-17(2)24(28-13-16)19-12-23(27-14-20(19)25)31-8-5-21-18(15-31)3-4-22(29-21)30-9-6-26-7-10-30/h3-4,11-14,26H,5-10,15H2,1-2H3.
What are the key properties of 6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-piperazin-1-yl-7,8-dihydro-5H-1,6-naphthyridine?
6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-piperazin-1-yl-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 434.98 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-piperazin-1-yl-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 77106811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).